3-cyclobutyl-4-cyclopropyl-1,2,4-triazole

C9H13N3 — CID 115394261

IUPAC3-cyclobutyl-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CCC2)n1C1CC1
InChIInChI=1S/C9H13N3/c1-2-7(3-1)9-11-10-6-12(9)8-4-5-8/h6-8H,1-5H2
InChIKeySNWWRCCCNORWLA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.88
Rot. Bonds2

About 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole

3-cyclobutyl-4-cyclopropyl-1,2,4-triazole (PubChem CID 115394261) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-4-cyclopropyl-1,2,4-triazole
PubChem CID115394261
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-cyclobutyl-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CCC2)n1C1CC1
InChIInChI=1S/C9H13N3/c1-2-7(3-1)9-11-10-6-12(9)8-4-5-8/h6-8H,1-5H2
InChIKeySNWWRCCCNORWLA-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-methyl-4H-1,2,4-triazole
CID 46318327
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
CID 175223309
3-[(R)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
CID 175223331
3-[Cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
CID 175476245
5-Cyclobutyl-1-methyl-1,2,4-triazole
CID 15496058
4-Cyclopropyl-3-(4,4-difluorocyclohexyl)-1,2,4-triazole
CID 81934616
3,4-Dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole
CID 90008789
4-Cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 115394143
3-(3,3-Difluorocyclobutyl)-4-ethyl-1,2,4-triazole
CID 130964967
4-Cyclopropyl-3-(3,3-difluorobutan-2-yl)-1,2,4-triazole
CID 131019432

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole (CID 115394261) is 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole is c1nnc(C2CCC2)n1C1CC1.
What is the InChIKey of 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole?
The InChIKey is SNWWRCCCNORWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7(3-1)9-11-10-6-12(9)8-4-5-8/h6-8H,1-5H2.
What are the key properties of 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole?
3-cyclobutyl-4-cyclopropyl-1,2,4-triazole has a molecular weight of 163.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 115394261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).