5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine

C12H11F2N5 — CID 112939280

IUPAC5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(NC2CC2)n1
InChIInChI=1S/C12H11F2N5/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-15-19-12)16-7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19)
InChIKeyXQZHGJNGPFEFOE-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.47
Rot. Bonds4

About 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine

5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112939280) has the molecular formula C12H11F2N5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112939280
Molecular FormulaC12H11F2N5
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(NC2CC2)n1
InChIInChI=1S/C12H11F2N5/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-15-19-12)16-7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19)
InChIKeyXQZHGJNGPFEFOE-UHFFFAOYSA-N
XLogP2.47
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-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

5-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112939226
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112941612
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969609
5-N-(2,6-difluorophenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962355
3-N-(2,6-difluorophenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943475
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
3-N-(2,6-difluorophenyl)-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953498
3-N-(2,6-difluorophenyl)-5-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112969007
3-N-(3-bromophenyl)-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959218
5-N-cycloheptyl-3-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959237

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112939280) is 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(F)c1Nc1nncc(NC2CC2)n1.
What is the InChIKey of 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XQZHGJNGPFEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-15-19-12)16-7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19).
What are the key properties of 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 263.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).