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

C15H16N4O — CID 117143384

IUPAC[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCOc1ccccc1Cc1nnc2cc(CN)ccn12
InChIInChI=1S/C15H16N4O/c1-20-13-5-3-2-4-12(13)9-15-18-17-14-8-11(10-16)6-7-19(14)15/h2-8H,9-10,16H2,1H3
InChIKeyVUVLWPMVSZPJTB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.79
Rot. Bonds4

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

[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143384) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143384
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCOc1ccccc1Cc1nnc2cc(CN)ccn12
InChIInChI=1S/C15H16N4O/c1-20-13-5-3-2-4-12(13)9-15-18-17-14-8-11(10-16)6-7-19(14)15/h2-8H,9-10,16H2,1H3
InChIKeyVUVLWPMVSZPJTB-UHFFFAOYSA-N
XLogP1.79
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143372
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117130441
5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 81441689
[2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223649
methyl 3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145231
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143426
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143384) is [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is COc1ccccc1Cc1nnc2cc(CN)ccn12.
What is the InChIKey of [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is VUVLWPMVSZPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-13-5-3-2-4-12(13)9-15-18-17-14-8-11(10-16)6-7-19(14)15/h2-8H,9-10,16H2,1H3.
What are the key properties of [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).