2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol

C9H12N4O — CID 117143193

IUPAC2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNCc1ccn2c(CCO)nnc2c1
InChIInChI=1S/C9H12N4O/c10-6-7-1-3-13-8(2-4-14)11-12-9(13)5-7/h1,3,5,14H,2,4,6,10H2
InChIKeyBCGIASLIECJZTM-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.28
Rot. Bonds3

About 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol

2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (PubChem CID 117143193) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
PubChem CID117143193
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNCc1ccn2c(CCO)nnc2c1
InChIInChI=1S/C9H12N4O/c10-6-7-1-3-13-8(2-4-14)11-12-9(13)5-7/h1,3,5,14H,2,4,6,10H2
InChIKeyBCGIASLIECJZTM-UHFFFAOYSA-N
XLogP-0.28
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143372
[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143384
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
3-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]propan-1-ol
CID 117143187

Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The IUPAC name of 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (CID 117143193) is 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is NCc1ccn2c(CCO)nnc2c1.
What is the InChIKey of 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The InChIKey is BCGIASLIECJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-6-7-1-3-13-8(2-4-14)11-12-9(13)5-7/h1,3,5,14H,2,4,6,10H2.
What are the key properties of 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol has a molecular weight of 192.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is sourced from PubChem (CID 117143193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).