3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole

C10H17N3 — CID 115395675

IUPAC3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CCC1
InChIInChI=1S/C10H17N3/c1-8(2)6-13-7-11-12-10(13)9-4-3-5-9/h7-9H,3-6H2,1-2H3
InChIKeyJPBFBNBSMMLOJD-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds3

About 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole

3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 115395675) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID115395675
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CCC1
InChIInChI=1S/C10H17N3/c1-8(2)6-13-7-11-12-10(13)9-4-3-5-9/h7-9H,3-6H2,1-2H3
InChIKeyJPBFBNBSMMLOJD-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 64817796
3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395495
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
CID 102690270
5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
CID 114207922
2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 95633051
4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 115395688
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 95820117
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole (CID 115395675) is 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is JPBFBNBSMMLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)6-13-7-11-12-10(13)9-4-3-5-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole?
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 115395675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).