3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole

C8H11N5 — CID 135626904

IUPAC3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole
SMILESCc1[nH]cnc1-c1nnc(C)n1C
InChIInChI=1S/C8H11N5/c1-5-7(10-4-9-5)8-12-11-6(2)13(8)3/h4H,1-3H3,(H,9,10)
InChIKeyZOKBNMFXHYXNPX-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.82
Rot. Bonds1

About 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole

3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole (PubChem CID 135626904) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole
PubChem CID135626904
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole
SMILESCc1[nH]cnc1-c1nnc(C)n1C
InChIInChI=1S/C8H11N5/c1-5-7(10-4-9-5)8-12-11-6(2)13(8)3/h4H,1-3H3,(H,9,10)
InChIKeyZOKBNMFXHYXNPX-UHFFFAOYSA-N
XLogP0.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
CID 131937077
(1S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 164632025
N-pentyl-5-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-1H-imidazol-4-amine
CID 135984694
9-Pentyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192267
6-Pentyl-3-(trifluoromethyl)-5,9-dihydro-[1,2,4]triazolo[3,4-f]purine
CID 141193364
3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
CID 166698057
3-methyl-5-(4-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 136237787
1-methyl-4-[[5-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 136276433
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole (CID 135626904) is 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole is Cc1[nH]cnc1-c1nnc(C)n1C.
What is the InChIKey of 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole?
The InChIKey is ZOKBNMFXHYXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-7(10-4-9-5)8-12-11-6(2)13(8)3/h4H,1-3H3,(H,9,10).
What are the key properties of 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole?
3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 135626904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).