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

C8H11N5 — CID 134194624

IUPAC3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2c(C)ncn2C)n[nH]1
InChIInChI=1S/C8H11N5/c1-5-7(13(3)4-9-5)8-10-6(2)11-12-8/h4H,1-3H3,(H,10,11,12)
InChIKeyUKSWPQGEWRMDEY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.82
Rot. Bonds1

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

3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole (PubChem CID 134194624) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole
PubChem CID134194624
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2c(C)ncn2C)n[nH]1
InChIInChI=1S/C8H11N5/c1-5-7(13(3)4-9-5)8-10-6(2)11-12-8/h4H,1-3H3,(H,10,11,12)
InChIKeyUKSWPQGEWRMDEY-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

3-(3-pentylimidazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 91393180
N-pentyl-5-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-1H-imidazol-4-amine
CID 135984694
3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
CID 166698057
1-Methyl-4-(1H-1,2,4-triazol-5-yl)-1H-imidazol-5-amine
CID 71364813
3-methyl-5-(4-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 136237787
1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 50969252
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613
5-methyl-3-(3-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53750869
5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53788225
3-ethyl-5-hydroxy-2-(1H-1,2,4-triazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614132
3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614150
5-hydroxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614201

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole (CID 134194624) is 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole is Cc1nc(-c2c(C)ncn2C)n[nH]1.
What is the InChIKey of 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole?
The InChIKey is UKSWPQGEWRMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-7(13(3)4-9-5)8-10-6(2)11-12-8/h4H,1-3H3,(H,10,11,12).
What are the key properties of 3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole?
3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-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-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 134194624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).