3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole

C10H15N5 — CID 107976153

IUPAC3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1-c1cn(C)cn1
InChIInChI=1S/C10H15N5/c1-8(2)4-15-7-12-13-10(15)9-5-14(3)6-11-9/h5-8H,4H2,1-3H3
InChIKeyOVNHDERDLBCWPS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds3

About 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole

3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 107976153) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID107976153
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1-c1cn(C)cn1
InChIInChI=1S/C10H15N5/c1-8(2)4-15-7-12-13-10(15)9-5-14(3)6-11-9/h5-8H,4H2,1-3H3
InChIKeyOVNHDERDLBCWPS-UHFFFAOYSA-N
XLogP1.33
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 115395542
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 114909548
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
CID 104673238
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
3-(4-chloro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113397407
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole (CID 107976153) is 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1-c1cn(C)cn1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is OVNHDERDLBCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8(2)4-15-7-12-13-10(15)9-5-14(3)6-11-9/h5-8H,4H2,1-3H3.
What are the key properties of 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 205.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 107976153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).