4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline

C20H18N6 — CID 56879242

IUPAC4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCc3ccncc3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C20H18N6/c1-15-24-20(26(25-15)19-4-2-3-11-22-19)17-5-7-18(8-6-17)23-14-16-9-12-21-13-10-16/h2-13,23H,14H2,1H3
InChIKeyKNEVNGQBPFGKKA-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.64
Rot. Bonds5

About 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline

4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 56879242) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID56879242
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCc3ccncc3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C20H18N6/c1-15-24-20(26(25-15)19-4-2-3-11-22-19)17-5-7-18(8-6-17)23-14-16-9-12-21-13-10-16/h2-13,23H,14H2,1H3
InChIKeyKNEVNGQBPFGKKA-UHFFFAOYSA-N
XLogP3.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine
CID 50962004
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
CID 28713238
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline (CID 56879242) is 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline is Cc1nc(-c2ccc(NCc3ccncc3)cc2)n(-c2ccccn2)n1.
What is the InChIKey of 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is KNEVNGQBPFGKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-15-24-20(26(25-15)19-4-2-3-11-22-19)17-5-7-18(8-6-17)23-14-16-9-12-21-13-10-16/h2-13,23H,14H2,1H3.
What are the key properties of 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline?
4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 342.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 56879242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).