4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole

C12H15N7 — CID 70787208

IUPAC4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole
SMILESCc1cn(CCn2ccnc2-c2nc[nH]c2C)nn1
InChIInChI=1S/C12H15N7/c1-9-7-19(17-16-9)6-5-18-4-3-13-12(18)11-10(2)14-8-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyIPKZPJLYAUEIAF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.18
Rot. Bonds4

About 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole

4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole (PubChem CID 70787208) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole
PubChem CID70787208
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole
SMILESCc1cn(CCn2ccnc2-c2nc[nH]c2C)nn1
InChIInChI=1S/C12H15N7/c1-9-7-19(17-16-9)6-5-18-4-3-13-12(18)11-10(2)14-8-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyIPKZPJLYAUEIAF-UHFFFAOYSA-N
XLogP1.18
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
4-(4-{1-[1-(1H-tetrazol-5-yl)ethyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine hydrochloride
CID 70773810
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
CID 95203700
(1S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 164632025
4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole
CID 173087368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole?
The IUPAC name of 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole (CID 70787208) is 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole.
What is the SMILES notation for 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole?
The canonical SMILES for 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole is Cc1cn(CCn2ccnc2-c2nc[nH]c2C)nn1.
What is the InChIKey of 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole?
The InChIKey is IPKZPJLYAUEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9-7-19(17-16-9)6-5-18-4-3-13-12(18)11-10(2)14-8-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole?
4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole has a molecular weight of 257.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]triazole is sourced from PubChem (CID 70787208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).