4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine

C20H15N9 — CID 66499134

IUPAC4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)nnc2nc(-c3ccncc3)nn12
InChIInChI=1S/C20H15N9/c1-13-17(16-9-12-22-19(24-16)23-15-5-3-2-4-6-15)26-27-20-25-18(28-29(13)20)14-7-10-21-11-8-14/h2-12H,1H3,(H,22,23,24)
InChIKeySIZXRSIJQBQAJC-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine

4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine (PubChem CID 66499134) has the molecular formula C20H15N9 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine
PubChem CID66499134
Molecular FormulaC20H15N9
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)nnc2nc(-c3ccncc3)nn12
InChIInChI=1S/C20H15N9/c1-13-17(16-9-12-22-19(24-16)23-15-5-3-2-4-6-15)26-27-20-25-18(28-29(13)20)14-7-10-21-11-8-14/h2-12H,1H3,(H,22,23,24)
InChIKeySIZXRSIJQBQAJC-UHFFFAOYSA-N
XLogP3.09
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-4-(4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499108
N-(2,3-dimethylphenyl)-4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499033
N-(3,4-dichlorophenyl)-4-(4-methyl-7-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499066
3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499139
3-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499036
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499065
3-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499068
3-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499104
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 142533764
4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66499165

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine (CID 66499134) is 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine is Cc1c(-c2ccnc(Nc3ccccc3)n2)nnc2nc(-c3ccncc3)nn12.
What is the InChIKey of 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is SIZXRSIJQBQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N9/c1-13-17(16-9-12-22-19(24-16)23-15-5-3-2-4-6-15)26-27-20-25-18(28-29(13)20)14-7-10-21-11-8-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine?
4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 381.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 66499134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).