5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole

C8H12FN3 — CID 130561715

IUPAC5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)(F)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H12FN3/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyFZSISMGNLZQXEN-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.89
Rot. Bonds2

About 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole

5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole (PubChem CID 130561715) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
PubChem CID130561715
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)(F)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H12FN3/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyFZSISMGNLZQXEN-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-1H-1,2,4-triazole
CID 15520387
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
3-chloro-5-isopropyl-1H-1,2,4-triazole
CID 45492456
5-Isobutyl-4H-1,2,4-triazol-3-amine
CID 4366578
3-Bromo-5-(propan-2-yl)-1H-1,2,4-triazole
CID 45493723
1H-1,2,4-Triazole-5-carbonitrile, 3-cyclopropyl-
CID 121552280
5-cyclopropyl-1H-1,2,4-triazol-3-amine
CID 2758017
3-Bromo-5-isobutyl-1H-1,2,4-triazole
CID 45495597
5-Bromo-3-cyclopropyl-1H-1,2,4-triazole
CID 45791233
5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole
CID 61278542
3-Ethyl-5-trifluoromethyl-1,2,4-triazole
CID 20592699
3-methyl-5-propyl-1H-1,2,4-triazole
CID 19014014

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole (CID 130561715) is 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole is CC(C)(F)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The InChIKey is FZSISMGNLZQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole has a molecular weight of 169.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2-fluoropropan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 130561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).