4-butyl-1-propyl-5-(trifluoromethyl)triazole

C10H16F3N3 — CID 69383022

IUPAC4-butyl-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCCc1nnn(CCC)c1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-5-6-8-9(10(11,12)13)16(7-4-2)15-14-8/h3-7H2,1-2H3
InChIKeyBXWCJGCHQPLISI-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.05
Rot. Bonds5

About 4-butyl-1-propyl-5-(trifluoromethyl)triazole

4-butyl-1-propyl-5-(trifluoromethyl)triazole (PubChem CID 69383022) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-butyl-1-propyl-5-(trifluoromethyl)triazole.

Molecular Properties

Compound Name4-butyl-1-propyl-5-(trifluoromethyl)triazole
PubChem CID69383022
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name4-butyl-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCCc1nnn(CCC)c1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-5-6-8-9(10(11,12)13)16(7-4-2)15-14-8/h3-7H2,1-2H3
InChIKeyBXWCJGCHQPLISI-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Butyl-5-iodo-1-(2,2,3,3-tetrafluoropropyl)triazole
CID 11559639
4-Butyl-5-iodo-1-(2,2,2-trifluoroethyl)triazole
CID 12168621
15,15-Difluoro-7,8-diaza-2-azoniatricyclo[7.6.0.02,7]pentadeca-1,8-diene
CID 58070776
14,14-Difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
CID 58070784
16,16-Difluoro-8,9-diaza-2-azoniatricyclo[8.6.0.02,8]hexadeca-1,9-diene
CID 58070788
1-Ethyl-4-(2-methylpropyl)-5-(trifluoromethyl)triazole
CID 69381537
1,4-Diethyl-5-(trifluoromethyl)triazole
CID 69381899
1-Hexyl-4-(2-methylpropyl)-5-(trifluoromethyl)triazole
CID 69381948
4-Butyl-5-fluoro-1-hexyltriazole
CID 69382035
1-Butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
4-Ethyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382183
4-Butyl-1-ethyl-5-(trifluoromethyl)triazole
CID 69382211

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-propyl-5-(trifluoromethyl)triazole?
The IUPAC name of 4-butyl-1-propyl-5-(trifluoromethyl)triazole (CID 69383022) is 4-butyl-1-propyl-5-(trifluoromethyl)triazole.
What is the SMILES notation for 4-butyl-1-propyl-5-(trifluoromethyl)triazole?
The canonical SMILES for 4-butyl-1-propyl-5-(trifluoromethyl)triazole is CCCCc1nnn(CCC)c1C(F)(F)F.
What is the InChIKey of 4-butyl-1-propyl-5-(trifluoromethyl)triazole?
The InChIKey is BXWCJGCHQPLISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-5-6-8-9(10(11,12)13)16(7-4-2)15-14-8/h3-7H2,1-2H3.
What are the key properties of 4-butyl-1-propyl-5-(trifluoromethyl)triazole?
4-butyl-1-propyl-5-(trifluoromethyl)triazole has a molecular weight of 235.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-propyl-5-(trifluoromethyl)triazole is sourced from PubChem (CID 69383022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).