1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C16H17N5 — CID 62405326

IUPAC1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H17N5/c1-13-7-8-14(10-18-13)9-17-11-15-12-19-21(20-15)16-5-3-2-4-6-16/h2-8,10,12,17H,9,11H2,1H3
InChIKeyOZVOWZVOHSXQAH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.26
Rot. Bonds5

About 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 62405326) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID62405326
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H17N5/c1-13-7-8-14(10-18-13)9-17-11-15-12-19-21(20-15)16-5-3-2-4-6-16/h2-8,10,12,17H,9,11H2,1H3
InChIKeyOZVOWZVOHSXQAH-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(6-methyl-3-pyridinyl)methanamine
CID 62996570
2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 104694524
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 62405326) is 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is Cc1ccc(CNCc2cnn(-c3ccccc3)n2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is OZVOWZVOHSXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-7-8-14(10-18-13)9-17-11-15-12-19-21(20-15)16-5-3-2-4-6-16/h2-8,10,12,17H,9,11H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62405326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).