5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C12H14FN5 — CID 112939002

IUPAC5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN5/c1-8(2)15-12-17-11(7-14-18-12)16-10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyBRVAWVCLYJPBBY-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.57
Rot. Bonds4

About 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112939002) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112939002
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN5/c1-8(2)15-12-17-11(7-14-18-12)16-10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyBRVAWVCLYJPBBY-UHFFFAOYSA-N
XLogP2.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-fluorophenyl)-3-N-propan-2-yl-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-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939083
3-N-propan-2-yl-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112939023
5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959706
5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938979
ethyl 4-[[3-(propan-2-ylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112939059
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961865
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939056
3-N-(4-ethoxyphenyl)-5-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965552
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965548
3-N-butan-2-yl-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940945
3-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961761

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112939002) is 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1nncc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is BRVAWVCLYJPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-8(2)15-12-17-11(7-14-18-12)16-10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 247.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).