2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine

C8H6F2N4 — CID 62677520

IUPAC2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1-c1ccc(F)cc1F
InChIInChI=1S/C8H6F2N4/c9-5-1-2-7(6(10)3-5)14-8(11)12-4-13-14/h1-4H,(H2,11,12,13)
InChIKeyULMWXSGETPOJKA-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.13
Rot. Bonds1

About 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine

2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine (PubChem CID 62677520) has the molecular formula C8H6F2N4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
PubChem CID62677520
Molecular FormulaC8H6F2N4
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1-c1ccc(F)cc1F
InChIInChI=1S/C8H6F2N4/c9-5-1-2-7(6(10)3-5)14-8(11)12-4-13-14/h1-4H,(H2,11,12,13)
InChIKeyULMWXSGETPOJKA-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fenamole
CID 21640
1-phenyl-1H-1,2,4-triazole
CID 83432
1-Phenyl-1H-tetrazole
CID 138477
4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 571640
4-Phenyl-4H-1,2,4-triazole
CID 85340
N-methyl-1-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 285158
4-(1,2,4-Triazol-1-yl)aniline
CID 735826
3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 863007
4-(4H-1,2,4-Triazol-4-yl)aniline
CID 6492920
1-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 98510
N-(4-fluorophenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 4243596
2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline
CID 2330455

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine (CID 62677520) is 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine is Nc1ncnn1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is ULMWXSGETPOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4/c9-5-1-2-7(6(10)3-5)14-8(11)12-4-13-14/h1-4H,(H2,11,12,13).
What are the key properties of 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine?
2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 196.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 62677520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).