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

C11H12N8 — CID 103132169

IUPACN-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccn(C)n2)nc(-n2cccn2)n1
InChIInChI=1S/C11H12N8/c1-12-10-14-9(8-4-7-18(2)17-8)15-11(16-10)19-6-3-5-13-19/h3-7H,1-2H3,(H,12,14,15,16)
InChIKeyRUYXJOZAWSCWEQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.50
Rot. Bonds3

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

N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 103132169) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID103132169
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccn(C)n2)nc(-n2cccn2)n1
InChIInChI=1S/C11H12N8/c1-12-10-14-9(8-4-7-18(2)17-8)15-11(16-10)19-6-3-5-13-19/h3-7H,1-2H3,(H,12,14,15,16)
InChIKeyRUYXJOZAWSCWEQ-UHFFFAOYSA-N
XLogP0.50
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 103132169) is N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(-c2ccn(C)n2)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RUYXJOZAWSCWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-12-10-14-9(8-4-7-18(2)17-8)15-11(16-10)19-6-3-5-13-19/h3-7H,1-2H3,(H,12,14,15,16).
What are the key properties of N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103132169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).