1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole

C9H14F3N3 — CID 69384944

IUPAC1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole
SMILESCCCc1c(C(F)(F)F)nnn1C(C)C
InChIInChI=1S/C9H14F3N3/c1-4-5-7-8(9(10,11)12)13-14-15(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyCBSVCRJKTPDVIJ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.83
Rot. Bonds3

About 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole

1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole (PubChem CID 69384944) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole
PubChem CID69384944
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole
SMILESCCCc1c(C(F)(F)F)nnn1C(C)C
InChIInChI=1S/C9H14F3N3/c1-4-5-7-8(9(10,11)12)13-14-15(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyCBSVCRJKTPDVIJ-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole?
The IUPAC name of 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole (CID 69384944) is 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole is CCCc1c(C(F)(F)F)nnn1C(C)C.
What is the InChIKey of 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole?
The InChIKey is CBSVCRJKTPDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-4-5-7-8(9(10,11)12)13-14-15(7)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole?
1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole has a molecular weight of 221.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69384944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).