[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C11H12F2N4 — CID 112593586

IUPAC[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cccc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-2-17-9(6-14)15-16-11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6,14H2,1H3
InChIKeyDBPMCCBNFXHGRP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.70
Rot. Bonds3

About [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593586) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593586
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cccc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-2-17-9(6-14)15-16-11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6,14H2,1H3
InChIKeyDBPMCCBNFXHGRP-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
CID 115399547
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593457
[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593466
[5-(2-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301728
[5-(5-bromo-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593590
[4-ethyl-5-(5-fluoro-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593504
2-[[5-(2,3-difluorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392828
[5-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 115944139
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115397022
[5-(2,6-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943829

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 112593586) is [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1-c1cccc(F)c1F.
What is the InChIKey of [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DBPMCCBNFXHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-2-17-9(6-14)15-16-11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6,14H2,1H3.
What are the key properties of [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 238.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).