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

C14H13N9 — CID 46892845

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22)
InChIKeyDMMFPXAFVNDPCA-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.57
Rot. Bonds3

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

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (PubChem CID 46892845) has the molecular formula C14H13N9 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
PubChem CID46892845
Molecular FormulaC14H13N9
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22)
InChIKeyDMMFPXAFVNDPCA-UHFFFAOYSA-N
XLogP1.57
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (CID 46892845) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is Cc1nc(N)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The InChIKey is DMMFPXAFVNDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine has a molecular weight of 307.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is sourced from PubChem (CID 46892845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).