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

C13H12N10 — CID 54582917

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ncn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C13H12N10/c1-7-17-10(14)20-12(18-7)23-9-5-3-2-4-8(9)19-13(23)21-11-15-6-16-22-11/h2-6H,1H3,(H2,14,17,18,20)(H2,15,16,19,21,22)
InChIKeyWKVMHMOLOLXPPL-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.96
Rot. Bonds3

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

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine (PubChem CID 54582917) has the molecular formula C13H12N10 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine
PubChem CID54582917
Molecular FormulaC13H12N10
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ncn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C13H12N10/c1-7-17-10(14)20-12(18-7)23-9-5-3-2-4-8(9)19-13(23)21-11-15-6-16-22-11/h2-6H,1H3,(H2,14,17,18,20)(H2,15,16,19,21,22)
InChIKeyWKVMHMOLOLXPPL-UHFFFAOYSA-N
XLogP0.96
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-4-yl)benzimidazol-2-amine
CID 67979800
3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile
CID 46892463
N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
CID 46893353
1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
CID 46892968
N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 46892598
5-[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]-4H-pyridine-2,5-diamine
CID 67979637
5-[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]-2H-pyridine-2,5-diamine
CID 67979634
1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine
CID 15950142
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703
ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
CID 90736229
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine (CID 54582917) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine is Cc1nc(N)nc(-n2c(Nc3ncn[nH]3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine?
The InChIKey is WKVMHMOLOLXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N10/c1-7-17-10(14)20-12(18-7)23-9-5-3-2-4-8(9)19-13(23)21-11-15-6-16-22-11/h2-6H,1H3,(H2,14,17,18,20)(H2,15,16,19,21,22).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine has a molecular weight of 308.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 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-(1H-1,2,4-triazol-5-yl)benzimidazol-2-amine is sourced from PubChem (CID 54582917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).