N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine

C13H13N5O — CID 658874

IUPACN-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(Nc2nccc3c2nnn3C)cc1
InChIInChI=1S/C13H13N5O/c1-18-11-7-8-14-13(12(11)16-17-18)15-9-3-5-10(19-2)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyKWHPMDHUMCXZTQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds3

About N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine

N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine (PubChem CID 658874) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
PubChem CID658874
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(Nc2nccc3c2nnn3C)cc1
InChIInChI=1S/C13H13N5O/c1-18-11-7-8-14-13(12(11)16-17-18)15-9-3-5-10(19-2)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyKWHPMDHUMCXZTQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
6-[4-(4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 756705

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine (CID 658874) is N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine is COc1ccc(Nc2nccc3c2nnn3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is KWHPMDHUMCXZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-11-7-8-14-13(12(11)16-17-18)15-9-3-5-10(19-2)6-4-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methyltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 658874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).