6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 746671-37-4
Catalog: |
BB035130 |
Product Name: |
6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
CAS: |
746671-37-4 |
Synonyms: |
6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
IUPAC Name: | 6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
Description: | 6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 746671-37-4 ) is a useful research chemical. |
Molecular Weight: | 191.234 |
Molecular Formula: | C10H13N3O |
Canonical SMILES: | CC(C)(C)C1=CN2C(=C1)C(=O)NC=N2 |
InChI: | InChI=1S/C10H13N3O/c1-10(2,3)7-4-8-9(14)11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,14) |
InChI Key: | ZCYAFLDENQTBMF-UHFFFAOYSA-N |
LogP: | 1.73240 |
Publication Number | Title | Priority Date |
AU-2004268968-A1 | Cyclic derivatives as modulators of chemokine receptor activity | 20030821 |
AU-2004268968-B2 | Cyclic derivatives as modulators of chemokine receptor activity | 20030821 |
EP-1656138-A2 | Substituted cycloalkyamine derivatives as modulators of chemokine receptor activity | 20030821 |
EP-1656345-A1 | Cyclic derivatives as modulators of chemokine receptor activity | 20030821 |
EP-1656345-B1 | Cyclic derivatives as modulators of chemokine receptor activity | 20030821 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.105862047 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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