N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H15N5 — CID 43691536

IUPACN-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1ccccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H15N5/c1-12-4-2-3-5-13(12)8-17-14-6-7-15(18-9-14)20-11-16-10-19-20/h2-7,9-11,17H,8H2,1H3
InChIKeySYRXEMWFEGQXDJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43691536) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43691536
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1ccccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H15N5/c1-12-4-2-3-5-13(12)8-17-14-6-7-15(18-9-14)20-11-16-10-19-20/h2-7,9-11,17H,8H2,1H3
InChIKeySYRXEMWFEGQXDJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691631
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-chloro-N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863026
2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107685453
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
CID 71805433
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 60732618

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43691536) is N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is Cc1ccccc1CNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is SYRXEMWFEGQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12-4-2-3-5-13(12)8-17-14-6-7-15(18-9-14)20-11-16-10-19-20/h2-7,9-11,17H,8H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43691536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).