2-[(2,3-difluorophenyl)methyl]triazol-4-amine

C9H8F2N4 — CID 165479947

IUPAC2-[(2,3-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2cccc(F)c2F)n1
InChIInChI=1S/C9H8F2N4/c10-7-3-1-2-6(9(7)11)5-15-13-4-8(12)14-15/h1-4H,5H2,(H2,12,14)
InChIKeyJAAUXNDMLCQVCH-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.19
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]triazol-4-amine

2-[(2,3-difluorophenyl)methyl]triazol-4-amine (PubChem CID 165479947) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]triazol-4-amine
PubChem CID165479947
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name2-[(2,3-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2cccc(F)c2F)n1
InChIInChI=1S/C9H8F2N4/c10-7-3-1-2-6(9(7)11)5-15-13-4-8(12)14-15/h1-4H,5H2,(H2,12,14)
InChIKeyJAAUXNDMLCQVCH-UHFFFAOYSA-N
XLogP1.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2H-1,2,3-triazol-4-amine
CID 4421759
2-Benzyl-2h-1,2,3-triazole
CID 5325467
1-benzyl-1H-1,2,3-triazol-4-amine
CID 56766768
2-[(3,4-difluorophenyl)methyl]-2H-1,2,3-triazol-4-amine
CID 135260054
1-benzyl-1H-1,2,3-triazol-4-amine hydrochloride
CID 75467587
2-(4-fluorophenyl)-2H-1,2,3-triazol-4-amine hydrochloride
CID 138039681
Benzylidenehydrazinyl-triazole
CID 151542634
1-(4-fluorobenzyl)-1H-1,2,3-triazol-5-amine
CID 45490115
1-[(2,5-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 53722682
1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazol-4-amine
CID 53880714
1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54446474
3-[(2,6-Difluorophenyl)methyl]triazol-4-amine
CID 57313220

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]triazol-4-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]triazol-4-amine (CID 165479947) is 2-[(2,3-difluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]triazol-4-amine is Nc1cnn(Cc2cccc(F)c2F)n1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]triazol-4-amine?
The InChIKey is JAAUXNDMLCQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-7-3-1-2-6(9(7)11)5-15-13-4-8(12)14-15/h1-4H,5H2,(H2,12,14).
What are the key properties of 2-[(2,3-difluorophenyl)methyl]triazol-4-amine?
2-[(2,3-difluorophenyl)methyl]triazol-4-amine has a molecular weight of 210.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 165479947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).