3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole

C8H14FN3 — CID 130561805

IUPAC3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1C(C)(C)F
InChIInChI=1S/C8H14FN3/c1-4-5-12-6-10-11-7(12)8(2,3)9/h6H,4-5H2,1-3H3
InChIKeySMJNFPOCDKUVNH-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole

3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole (PubChem CID 130561805) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole
PubChem CID130561805
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1C(C)(C)F
InChIInChI=1S/C8H14FN3/c1-4-5-12-6-10-11-7(12)8(2,3)9/h6H,4-5H2,1-3H3
InChIKeySMJNFPOCDKUVNH-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoropropan-2-yl)-4-propyl-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

4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
CID 115394961
N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62817837
1-cyclopropyl-1-(4-propyl-1,2,4-triazol-3-yl)ethanamine
CID 64667693
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
4-propyl-1,2,4-triazole-3-carbaldehyde
CID 22938686
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
4-propyl-3-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,2,4-triazole
CID 146143492
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole (CID 130561805) is 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1C(C)(C)F.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole?
The InChIKey is SMJNFPOCDKUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-4-5-12-6-10-11-7(12)8(2,3)9/h6H,4-5H2,1-3H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole?
3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole has a molecular weight of 171.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 130561805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).