4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H14N8 — CID 80853145

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2cccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N8/c1-8-7-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-14-19/h4-7H,1-3H3,(H,13,15,16,17)
InChIKeyPAUVIRNRTIMHNM-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.90
Rot. Bonds3

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

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80853145) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80853145
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2cccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N8/c1-8-7-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-14-19/h4-7H,1-3H3,(H,13,15,16,17)
InChIKeyPAUVIRNRTIMHNM-UHFFFAOYSA-N
XLogP0.90
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468667
N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 103132169
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145
2-N-(3-bromophenyl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736723
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 655127
N-methyl-4-(2-methylthiophen-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102838375
4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
CID 80764992
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80853145) is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(-n2cccn2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PAUVIRNRTIMHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-8-7-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-14-19/h4-7H,1-3H3,(H,13,15,16,17).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).