4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole

C10H18F3N3 — CID 69383819

IUPAC4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
SMILESCCCCN1C=NN(CCC)C1C(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-3-5-7-15-8-14-16(6-4-2)9(15)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyPFKOKUWHCFGQMZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.65
Rot. Bonds5

About 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole

4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole (PubChem CID 69383819) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
PubChem CID69383819
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
SMILESCCCCN1C=NN(CCC)C1C(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-3-5-7-15-8-14-16(6-4-2)9(15)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyPFKOKUWHCFGQMZ-UHFFFAOYSA-N
XLogP2.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-3-tert-butyl-2-propyl-3H-1,2,4-triazole
CID 69384712
2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
CID 69382894
4-iodo-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
CID 87803438
2-butyl-4-(trichloromethyl)-3-(trifluoromethyl)-3H-1,2,4-triazole
CID 87804893
3-tert-butyl-2-hexyl-4-propyl-3H-1,2,4-triazole
CID 69387527
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
4-(2-methylpropyl)-3-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3H-1,2,4-triazole
CID 87804078
2-hexyl-4-nitro-3-(trifluoromethyl)-3H-1,2,4-triazole
CID 69386980
2-butyl-4-(2,2-dimethylpropyl)-3-(1,1,2,2,2-pentachloroethyl)-3H-1,2,4-triazole
CID 69381652
2-butyl-3-tert-butyl-4-methyl-3H-1,2,4-triazole
CID 69385535
3-bromo-2-butyl-4-(2,2-dimethylpropyl)-3H-1,2,4-triazole
CID 69383253
2-butyl-4-fluoro-3-(trichloromethyl)-3H-1,2,4-triazole
CID 87804789

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The IUPAC name of 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole (CID 69383819) is 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole.
What is the SMILES notation for 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The canonical SMILES for 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole is CCCCN1C=NN(CCC)C1C(F)(F)F.
What is the InChIKey of 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The InChIKey is PFKOKUWHCFGQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-3-5-7-15-8-14-16(6-4-2)9(15)10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole has a molecular weight of 237.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole is sourced from PubChem (CID 69383819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).