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

C11H10N6 — CID 116823205

IUPAC6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H10N6/c1-12-11-10(17-16-6-15-11)7-2-3-8-9(4-7)14-5-13-8/h2-6H,1H3,(H,13,14)(H,12,15,16)
InChIKeyICRKXHSAOIVQFZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.46
Rot. Bonds2

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

6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823205) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823205
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H10N6/c1-12-11-10(17-16-6-15-11)7-2-3-8-9(4-7)14-5-13-8/h2-6H,1H3,(H,13,14)(H,12,15,16)
InChIKeyICRKXHSAOIVQFZ-UHFFFAOYSA-N
XLogP1.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole
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2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
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6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
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6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine (CID 116823205) is 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine is CNc1ncnnc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is ICRKXHSAOIVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-12-11-10(17-16-6-15-11)7-2-3-8-9(4-7)14-5-13-8/h2-6H,1H3,(H,13,14)(H,12,15,16).
What are the key properties of 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine?
6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 226.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).