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

C15H15N9 — CID 54579941

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn(C)n3)nc3ccccc32)n1
InChIInChI=1S/C15H15N9/c1-9-17-13(16)21-14(18-9)24-11-6-4-3-5-10(11)19-15(24)20-12-7-8-23(2)22-12/h3-8H,1-2H3,(H,19,20,22)(H2,16,17,18,21)
InChIKeyYGMCOBDMWUYNPQ-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.58
Rot. Bonds3

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

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine (PubChem CID 54579941) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine
PubChem CID54579941
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn(C)n3)nc3ccccc32)n1
InChIInChI=1S/C15H15N9/c1-9-17-13(16)21-14(18-9)24-11-6-4-3-5-10(11)19-15(24)20-12-7-8-23(2)22-12/h3-8H,1-2H3,(H,19,20,22)(H2,16,17,18,21)
InChIKeyYGMCOBDMWUYNPQ-UHFFFAOYSA-N
XLogP1.58
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine (CID 54579941) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine is Cc1nc(N)nc(-n2c(Nc3ccn(C)n3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The InChIKey is YGMCOBDMWUYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c1-9-17-13(16)21-14(18-9)24-11-6-4-3-5-10(11)19-15(24)20-12-7-8-23(2)22-12/h3-8H,1-2H3,(H,19,20,22)(H2,16,17,18,21).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine has a molecular weight of 321.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 54579941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).