1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine

C9H9F2N5 — CID 121320276

IUPAC1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(Cc2c(F)cccc2F)n1
InChIInChI=1S/C9H9F2N5/c10-6-2-1-3-7(11)5(6)4-16-9(13)14-8(12)15-16/h1-3H,4H2,(H4,12,13,14,15)
InChIKeyDJKJFQXATYHKRI-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.77
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine

1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine (PubChem CID 121320276) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
PubChem CID121320276
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(Cc2c(F)cccc2F)n1
InChIInChI=1S/C9H9F2N5/c10-6-2-1-3-7(11)5(6)4-16-9(13)14-8(12)15-16/h1-3H,4H2,(H4,12,13,14,15)
InChIKeyDJKJFQXATYHKRI-UHFFFAOYSA-N
XLogP0.77
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901336
1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172684570
5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile
CID 68895462
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63330809
6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine
CID 142703146
7-chloro-3-[(2,6-difluorophenyl)methyl]triazolo[4,5-d]pyrimidine
CID 19767697
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 114930880
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine (CID 121320276) is 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(Cc2c(F)cccc2F)n1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is DJKJFQXATYHKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-6-2-1-3-7(11)5(6)4-16-9(13)14-8(12)15-16/h1-3H,4H2,(H4,12,13,14,15).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine?
1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 225.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 121320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).