3-[(2,6-difluorophenyl)methyl]triazol-4-amine

C9H8F2N4 — CID 57313220

IUPAC3-[(2,6-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnnn1Cc1c(F)cccc1F
InChIInChI=1S/C9H8F2N4/c10-7-2-1-3-8(11)6(7)5-15-9(12)4-13-14-15/h1-4H,5,12H2
InChIKeyDMGPWOUADAPPJM-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.19
Rot. Bonds2

About 3-[(2,6-difluorophenyl)methyl]triazol-4-amine

3-[(2,6-difluorophenyl)methyl]triazol-4-amine (PubChem CID 57313220) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]triazol-4-amine
PubChem CID57313220
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name3-[(2,6-difluorophenyl)methyl]triazol-4-amine
SMILESNc1cnnn1Cc1c(F)cccc1F
InChIInChI=1S/C9H8F2N4/c10-7-2-1-3-8(11)6(7)5-15-9(12)4-13-14-15/h1-4H,5,12H2
InChIKeyDMGPWOUADAPPJM-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 3-[(2,6-difluorophenyl)methyl]triazol-4-amine?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]triazol-4-amine (CID 57313220) is 3-[(2,6-difluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]triazol-4-amine is Nc1cnnn1Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]triazol-4-amine?
The InChIKey is DMGPWOUADAPPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-7-2-1-3-8(11)6(7)5-15-9(12)4-13-14-15/h1-4H,5,12H2.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]triazol-4-amine?
3-[(2,6-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 3-[(2,6-difluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 57313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).