[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C14H18N4O — CID 82568074

IUPAC[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(-c2nc3n(n2)CC(CN)CC3)cc1
InChIInChI=1S/C14H18N4O/c1-19-12-5-3-11(4-6-12)14-16-13-7-2-10(8-15)9-18(13)17-14/h3-6,10H,2,7-9,15H2,1H3
InChIKeyIGKGBWSSRBXJNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.47
Rot. Bonds3

About [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 82568074) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID82568074
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(-c2nc3n(n2)CC(CN)CC3)cc1
InChIInChI=1S/C14H18N4O/c1-19-12-5-3-11(4-6-12)14-16-13-7-2-10(8-15)9-18(13)17-14/h3-6,10H,2,7-9,15H2,1H3
InChIKeyIGKGBWSSRBXJNK-UHFFFAOYSA-N
XLogP1.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine
CID 82568060
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82567708
[2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866042
2-(4-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117127941
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423982
2-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567877
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
6-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557124
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567876
[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392236
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153661
(2-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105488424

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 82568074) is [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is COc1ccc(-c2nc3n(n2)CC(CN)CC3)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is IGKGBWSSRBXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-12-5-3-11(4-6-12)14-16-13-7-2-10(8-15)9-18(13)17-14/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 82568074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).