3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole

C11H11F2N3 — CID 115395120

IUPAC3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3/c1-2-5-16-7-14-15-11(16)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5H2,1H3
InChIKeyNMKHYJYIGJPKLG-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.63
Rot. Bonds3

About 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole

3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole (PubChem CID 115395120) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
PubChem CID115395120
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3/c1-2-5-16-7-14-15-11(16)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5H2,1H3
InChIKeyNMKHYJYIGJPKLG-UHFFFAOYSA-N
XLogP2.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
CID 115395003
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
4-methyl-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694681
4-ethyl-3-(5-fluoro-2-nitrophenyl)-1,2,4-triazole
CID 115394724
4-fluoro-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 62711248
5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63619258

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole (CID 115395120) is 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole?
The InChIKey is NMKHYJYIGJPKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-2-5-16-7-14-15-11(16)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole?
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole has a molecular weight of 223.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).