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6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine dihydrochloride

6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine dihydrochloride - CAS 2081124-55-0

Catalog:	BB016320
Product Name:	6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine dihydrochloride
CAS:	2081124-55-0
Synonyms:	6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine;dihydrochloride; 6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine;dihydrochloride
Description:	6-(aminomethyl)-N-butyl-1,2,4-triazin-3-amine dihydrochloride (CAS# 2081124-55-0 ) is a useful research chemical.
Molecular Weight:	254.159
Molecular Formula:	C8H17Cl2N5
Canonical SMILES:	CCCCNC1=NC=C(N=N1)CN.Cl.Cl
InChI:	InChI=1S/C8H15N5.2ClH/c1-2-3-4-10-8-11-6-7(5-9)12-13-8;;/h6H,2-5,9H2,1H3,(H,10,11,13);2*1H
InChI Key:	QRHCNJVKFHBYOS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-10005788-B2	Bicyclic fused pyrimidine compounds as TAM inhibitors	20150812
US-2017044164-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812
US-2018009815-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812
US-9708333-B2	Fused bicyclic 1,2,4-triazine compounds as TAM inhibitors	20150812
WO-2017027717-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.086101
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	253.086101
Rotatable Bond Count:	5
Topological Polar Surface Area:	76.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0