1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine

C15H15N9 — CID 53242225

IUPAC1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C15H15N9/c1-9-18-13(16-2)22-14(19-9)24-11-6-4-3-5-10(11)20-15(24)21-12-7-8-17-23-12/h3-8H,1-2H3,(H,16,18,19,22)(H2,17,20,21,23)
InChIKeyQVKFMCDAOONIMX-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine

1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (PubChem CID 53242225) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
PubChem CID53242225
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C15H15N9/c1-9-18-13(16-2)22-14(19-9)24-11-6-4-3-5-10(11)20-15(24)21-12-7-8-17-23-12/h3-8H,1-2H3,(H,16,18,19,22)(H2,17,20,21,23)
InChIKeyQVKFMCDAOONIMX-UHFFFAOYSA-N
XLogP2.03
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (CID 53242225) is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The canonical SMILES for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is CNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1.
What is the InChIKey of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The InChIKey is QVKFMCDAOONIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c1-9-18-13(16-2)22-14(19-9)24-11-6-4-3-5-10(11)20-15(24)21-12-7-8-17-23-12/h3-8H,1-2H3,(H,16,18,19,22)(H2,17,20,21,23).
What are the key properties of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine has a molecular weight of 321.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is sourced from PubChem (CID 53242225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).