N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine

C15H15N5 — CID 163428540

IUPACN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(CNc2n[nH]c(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5/c1-11-4-6-12(7-5-11)9-17-15-18-14(19-20-15)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H2,17,18,19,20)
InChIKeyAOOAZRQVXAFXPC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine

N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine (PubChem CID 163428540) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
PubChem CID163428540
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(CNc2n[nH]c(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5/c1-11-4-6-12(7-5-11)9-17-15-18-14(19-20-15)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H2,17,18,19,20)
InChIKeyAOOAZRQVXAFXPC-UHFFFAOYSA-N
XLogP2.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine
CID 174409582
N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 118634299
2-(4-chlorophenyl)-1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 7337546
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine
CID 71933635

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine (CID 163428540) is N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine is Cc1ccc(CNc2n[nH]c(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is AOOAZRQVXAFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-4-6-12(7-5-11)9-17-15-18-14(19-20-15)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 265.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 163428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).