N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine

C16H17N5 — CID 78895283

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCc1cccc(CNCc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C16H17N5/c1-13-3-2-4-15(20-13)10-17-9-14-5-7-16(8-6-14)21-12-18-11-19-21/h2-8,11-12,17H,9-10H2,1H3
InChIKeyCJRMMYNFOUORAH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.26
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine

N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine (PubChem CID 78895283) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
PubChem CID78895283
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCc1cccc(CNCc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C16H17N5/c1-13-3-2-4-15(20-13)10-17-9-14-5-7-16(8-6-14)21-12-18-11-19-21/h2-8,11-12,17H,9-10H2,1H3
InChIKeyCJRMMYNFOUORAH-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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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine (CID 78895283) is N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine is Cc1cccc(CNCc2ccc(-n3cncn3)cc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The InChIKey is CJRMMYNFOUORAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-3-2-4-15(20-13)10-17-9-14-5-7-16(8-6-14)21-12-18-11-19-21/h2-8,11-12,17H,9-10H2,1H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]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 N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 78895283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).