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

C14H14N4O — CID 117143369

IUPAC3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
SMILESNCc1ccn2c(Cc3cccc(O)c3)nnc2c1
InChIInChI=1S/C14H14N4O/c15-9-11-4-5-18-13(16-17-14(18)8-11)7-10-2-1-3-12(19)6-10/h1-6,8,19H,7,9,15H2
InChIKeyKGLTVOKOPZWLMF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.48
Rot. Bonds3

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

3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol (PubChem CID 117143369) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
PubChem CID117143369
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
SMILESNCc1ccn2c(Cc3cccc(O)c3)nnc2c1
InChIInChI=1S/C14H14N4O/c15-9-11-4-5-18-13(16-17-14(18)8-11)7-10-2-1-3-12(19)6-10/h1-6,8,19H,7,9,15H2
InChIKeyKGLTVOKOPZWLMF-UHFFFAOYSA-N
XLogP1.48
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol with MolForge

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Related Compounds

[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189
[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143384
[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143372
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392548
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791
[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143426
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393209
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol?
The IUPAC name of 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol (CID 117143369) is 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol?
The canonical SMILES for 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol is NCc1ccn2c(Cc3cccc(O)c3)nnc2c1.
What is the InChIKey of 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol?
The InChIKey is KGLTVOKOPZWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-9-11-4-5-18-13(16-17-14(18)8-11)7-10-2-1-3-12(19)6-10/h1-6,8,19H,7,9,15H2.
What are the key properties of 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol?
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol has a molecular weight of 254.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 117143369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).