4-fluoro-1-propan-2-yl-5-propyltriazole

C8H14FN3 — CID 69381889

IUPAC4-fluoro-1-propan-2-yl-5-propyltriazole
SMILESCCCc1c(F)nnn1C(C)C
InChIInChI=1S/C8H14FN3/c1-4-5-7-8(9)10-11-12(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyHMCGJODNPXVZNX-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.95
Rot. Bonds3

About 4-fluoro-1-propan-2-yl-5-propyltriazole

4-fluoro-1-propan-2-yl-5-propyltriazole (PubChem CID 69381889) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-yl-5-propyltriazole.

Molecular Properties

Compound Name4-fluoro-1-propan-2-yl-5-propyltriazole
PubChem CID69381889
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name4-fluoro-1-propan-2-yl-5-propyltriazole
SMILESCCCc1c(F)nnn1C(C)C
InChIInChI=1S/C8H14FN3/c1-4-5-7-8(9)10-11-12(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyHMCGJODNPXVZNX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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
1-Ethyl-4-fluoro-5-(2-methylpropyl)triazole
CID 69381558
5-Fluoro-4-(2-methylpropyl)-1-propyltriazole
CID 69381953
4-Butyl-5-fluoro-1-methyltriazole
CID 69381966
4-Butyl-5-fluoro-1-hexyltriazole
CID 69382035
5-Fluoro-1-hexyl-4-propan-2-yltriazole
CID 69382085
4-Fluoro-5-(2-methylpropyl)-1-propan-2-yltriazole
CID 69382176
5-Ethyl-4-fluoro-1-propan-2-yltriazole
CID 69382265
5-Fluoro-1-methyl-4-(2-methylpropyl)triazole
CID 69382283
4-Fluoro-5-propan-2-yl-1-propyltriazole
CID 69382444
5-Butyl-4-fluoro-1-propyltriazole
CID 69382528

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-yl-5-propyltriazole?
The IUPAC name of 4-fluoro-1-propan-2-yl-5-propyltriazole (CID 69381889) is 4-fluoro-1-propan-2-yl-5-propyltriazole.
What is the SMILES notation for 4-fluoro-1-propan-2-yl-5-propyltriazole?
The canonical SMILES for 4-fluoro-1-propan-2-yl-5-propyltriazole is CCCc1c(F)nnn1C(C)C.
What is the InChIKey of 4-fluoro-1-propan-2-yl-5-propyltriazole?
The InChIKey is HMCGJODNPXVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-4-5-7-8(9)10-11-12(7)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-1-propan-2-yl-5-propyltriazole?
4-fluoro-1-propan-2-yl-5-propyltriazole has a molecular weight of 171.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-yl-5-propyltriazole is sourced from PubChem (CID 69381889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).