1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C11H15N5 — CID 102880827

IUPAC1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cncc(CNCc2nncn2C)c1
InChIInChI=1S/C11H15N5/c1-9-3-10(5-12-4-9)6-13-7-11-15-14-8-16(11)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyFCEPBHBHCVFWTL-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.81
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 102880827) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID102880827
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cncc(CNCc2nncn2C)c1
InChIInChI=1S/C11H15N5/c1-9-3-10(5-12-4-9)6-13-7-11-15-14-8-16(11)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyFCEPBHBHCVFWTL-UHFFFAOYSA-N
XLogP0.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 103864327
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 63332413
1-(4-bromo-3-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66472217
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081
1-(3-methyl-4-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 114699789
1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 81325855
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-phenylphenyl)methanamine
CID 47059707
1-(1-ethylpyrrol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66415171
1-[4-(difluoromethyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 115523846
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103894058
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 55138482

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 102880827) is 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1cncc(CNCc2nncn2C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is FCEPBHBHCVFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-10(5-12-4-9)6-13-7-11-15-14-8-16(11)2/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 102880827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).