[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C15H20N4O — CID 105392071

IUPAC[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOc1cccc(Cc2nnc3n2CC(CN)CC3)c1
InChIInChI=1S/C15H20N4O/c1-20-13-4-2-3-11(7-13)8-15-18-17-14-6-5-12(9-16)10-19(14)15/h2-4,7,12H,5-6,8-10,16H2,1H3
InChIKeyDOPAQFAUVUBHLV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.40
Rot. Bonds4

About [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 105392071) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID105392071
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOc1cccc(Cc2nnc3n2CC(CN)CC3)c1
InChIInChI=1S/C15H20N4O/c1-20-13-4-2-3-11(7-13)8-15-18-17-14-6-5-12(9-16)10-19(14)15/h2-4,7,12H,5-6,8-10,16H2,1H3
InChIKeyDOPAQFAUVUBHLV-UHFFFAOYSA-N
XLogP1.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

3-[[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 105392056
[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392236
8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791611
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
(2-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105488424
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
[2-[(3-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-6-yl]methanamine
CID 115066779
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496271
(3-methoxyphenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525224
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 105392071) is [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is COc1cccc(Cc2nnc3n2CC(CN)CC3)c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is DOPAQFAUVUBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-13-4-2-3-11(7-13)8-15-18-17-14-6-5-12(9-16)10-19(14)15/h2-4,7,12H,5-6,8-10,16H2,1H3.
What are the key properties of [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 105392071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).