4-{5H,6H,7H,8H-[1,2,4]Triazolo[4,3-a]pyridin-3-yl}aniline - CAS 1040326-79-1
Catalog: |
BB042475 |
Product Name: |
4-{5H,6H,7H,8H-[1,2,4]Triazolo[4,3-a]pyridin-3-yl}aniline |
CAS: |
1040326-79-1 |
Synonyms: |
[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]amine; 4-(1,2,4-triazolo[4,5-a]piperidin-3-yl)phenylamine |
IUPAC Name: | 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline |
Description: | 4-{5H,6H,7H,8H-[1,2,4]Triazolo[4,3-a]pyridin-3-yl}aniline (CAS# 1040326-79-1 ) is a useful research chemical. |
Molecular Weight: | 214.27 |
Molecular Formula: | C12H14N4 |
Canonical SMILES: | C1CCN2C(=NN=C2C3=CC=C(C=C3)N)C1 |
InChI: | InChI=1S/C12H14N4/c13-10-6-4-9(5-7-10)12-15-14-11-3-1-2-8-16(11)12/h4-7H,1-3,8,13H2 |
InChI Key: | KCPFTLWQDHXIEE-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.121846464 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.121846464 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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