3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole

C11H11F2N3 — CID 82819204

IUPAC3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C11H11F2N3/c1-3-16-6-14-15-11(16)9-8(12)5-4-7(2)10(9)13/h4-6H,3H2,1-2H3
InChIKeyNADPNXRJZSEKEW-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.55
Rot. Bonds2

About 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole

3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole (PubChem CID 82819204) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
PubChem CID82819204
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C11H11F2N3/c1-3-16-6-14-15-11(16)9-8(12)5-4-7(2)10(9)13/h4-6H,3H2,1-2H3
InChIKeyNADPNXRJZSEKEW-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44448649
CID 44448649
CID 589306
CID 589306
CID 3039312
CID 3039312
CID 3087998
CID 3087998
CID 3088008
CID 3088008
CID 3088009
CID 3088009
CID 44448688
CID 44448688
CID 44448689
CID 44448689
CID 44448731
CID 44448731
CID 118726300
CID 118726300
CID 665261
CID 665261
CID 4585579
CID 4585579

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole (CID 82819204) is 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole is CCn1cnnc1-c1c(F)ccc(C)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole?
The InChIKey is NADPNXRJZSEKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-3-16-6-14-15-11(16)9-8(12)5-4-7(2)10(9)13/h4-6H,3H2,1-2H3.
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole?
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole has a molecular weight of 223.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 82819204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).