4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H13N9 — CID 80840951

IUPAC4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2cncn2)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H13N9/c1-13-10-16-11(18-12(17-10)21-7-14-6-15-21)20-5-4-9(19-20)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,16,17,18)
InChIKeyBJRPHMXRORJDKL-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.56
Rot. Bonds4

About 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80840951) has the molecular formula C12H13N9 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80840951
Molecular FormulaC12H13N9
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2cncn2)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H13N9/c1-13-10-16-11(18-12(17-10)21-7-14-6-15-21)20-5-4-9(19-20)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,16,17,18)
InChIKeyBJRPHMXRORJDKL-UHFFFAOYSA-N
XLogP0.56
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80840951) is 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(-n2cncn2)nc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is BJRPHMXRORJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9/c1-13-10-16-11(18-12(17-10)21-7-14-6-15-21)20-5-4-9(19-20)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,16,17,18).
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).