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

C9H8F2N4 — CID 135260054

IUPAC2-[(3,4-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H8F2N4/c10-7-2-1-6(3-8(7)11)5-15-13-4-9(12)14-15/h1-4H,5H2,(H2,12,14)
InChIKeyYBCKRLLJYRKAIZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.19
Rot. Bonds2

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

2-[(3,4-difluorophenyl)methyl]triazol-4-amine (PubChem CID 135260054) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]triazol-4-amine
PubChem CID135260054
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name2-[(3,4-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H8F2N4/c10-7-2-1-6(3-8(7)11)5-15-13-4-9(12)14-15/h1-4H,5H2,(H2,12,14)
InChIKeyYBCKRLLJYRKAIZ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]triazol-4-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]triazol-4-amine (CID 135260054) is 2-[(3,4-difluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]triazol-4-amine is Nc1cnn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]triazol-4-amine?
The InChIKey is YBCKRLLJYRKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-7-2-1-6(3-8(7)11)5-15-13-4-9(12)14-15/h1-4H,5H2,(H2,12,14).
What are the key properties of 2-[(3,4-difluorophenyl)methyl]triazol-4-amine?
2-[(3,4-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-[(3,4-difluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 135260054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).