4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole

C8H10F3N3 — CID 115394143

IUPAC4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESFC(F)(F)CCc1nncn1C1CC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2
InChIKeyKTRDECFMQHLQLF-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.11
Rot. Bonds3

About 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole

4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole (PubChem CID 115394143) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole
PubChem CID115394143
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESFC(F)(F)CCc1nncn1C1CC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2
InChIKeyKTRDECFMQHLQLF-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 129623993
CID 129623993
CID 21869109
CID 21869109
CID 54455565
CID 54455565
CID 57973802
CID 57973802
CID 59539572
CID 59539572
CID 71010953
CID 71010953
CID 87815280
CID 87815280
CID 89185698
CID 89185698
CID 89734320
CID 89734320
CID 115393820
CID 115393820
CID 115394671
CID 115394671
CID 115395069
CID 115395069

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole (CID 115394143) is 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole is FC(F)(F)CCc1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The InChIKey is KTRDECFMQHLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)4-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole?
4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 115394143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).