1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine

C12H14N6 — CID 166295022

IUPAC1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C12H14N6/c1-17(2)6-9-7-18(16-15-9)10-3-4-11-12(5-10)14-8-13-11/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyGWAZFCKWXLQYPS-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.21
Rot. Bonds3

About 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine

1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 166295022) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine
PubChem CID166295022
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C12H14N6/c1-17(2)6-9-7-18(16-15-9)10-3-4-11-12(5-10)14-8-13-11/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyGWAZFCKWXLQYPS-UHFFFAOYSA-N
XLogP1.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(3H-benzimidazol-5-yl)triazol-4-yl]propyl]-3,3-difluoro-2,2-dimethylpropanamide
CID 167972247
6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 118173370
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 165454549
3-(3H-benzimidazol-5-yl)triazole-4-carboxylic acid
CID 82391104
CID 162726025
CID 162726025
N-[[1-(3-chloro-4-methylphenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 138051886
N-[1-(1-phenyltriazol-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 71969366
3H-benzimidazol-5-yl-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70773877
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine (CID 166295022) is 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1cn(-c2ccc3nc[nH]c3c2)nn1.
What is the InChIKey of 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is GWAZFCKWXLQYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-17(2)6-9-7-18(16-15-9)10-3-4-11-12(5-10)14-8-13-11/h3-5,7-8H,6H2,1-2H3,(H,13,14).
What are the key properties of 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine?
1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 242.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166295022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).