N-(3,4-difluorophenyl)-2H-triazol-4-amine

C8H6F2N4 — CID 175748256

IUPACN-(3,4-difluorophenyl)-2H-triazol-4-amine
SMILESFc1ccc(Nc2cn[nH]n2)cc1F
InChIInChI=1S/C8H6F2N4/c9-6-2-1-5(3-7(6)10)12-8-4-11-14-13-8/h1-4H,(H2,11,12,13,14)
InChIKeyDDOLFSMERTYWBB-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.83
Rot. Bonds2

About N-(3,4-difluorophenyl)-2H-triazol-4-amine

N-(3,4-difluorophenyl)-2H-triazol-4-amine (PubChem CID 175748256) has the molecular formula C8H6F2N4 and a molecular weight of 196.16 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2H-triazol-4-amine
PubChem CID175748256
Molecular FormulaC8H6F2N4
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC NameN-(3,4-difluorophenyl)-2H-triazol-4-amine
SMILESFc1ccc(Nc2cn[nH]n2)cc1F
InChIInChI=1S/C8H6F2N4/c9-6-2-1-5(3-7(6)10)12-8-4-11-14-13-8/h1-4H,(H2,11,12,13,14)
InChIKeyDDOLFSMERTYWBB-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2H-triazol-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2H-triazol-4-amine (CID 175748256) is N-(3,4-difluorophenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2H-triazol-4-amine is Fc1ccc(Nc2cn[nH]n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-2H-triazol-4-amine?
The InChIKey is DDOLFSMERTYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4/c9-6-2-1-5(3-7(6)10)12-8-4-11-14-13-8/h1-4H,(H2,11,12,13,14).
What are the key properties of N-(3,4-difluorophenyl)-2H-triazol-4-amine?
N-(3,4-difluorophenyl)-2H-triazol-4-amine has a molecular weight of 196.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2H-triazol-4-amine is sourced from PubChem (CID 175748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).