2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine

C12H15F2N7 — CID 175495147

IUPAC2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCC(F)(F)CC2)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C12H15F2N7/c13-12(14)4-1-7(2-5-12)17-11-19-9(18-10(15)20-11)8-3-6-16-21-8/h3,6-7H,1-2,4-5H2,(H,16,21)(H3,15,17,18,19,20)
InChIKeyZHQFPEKPPGNTIJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.83
Rot. Bonds3

About 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine

2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175495147) has the molecular formula C12H15F2N7 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175495147
Molecular FormulaC12H15F2N7
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCC(F)(F)CC2)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C12H15F2N7/c13-12(14)4-1-7(2-5-12)17-11-19-9(18-10(15)20-11)8-3-6-16-21-8/h3,6-7H,1-2,4-5H2,(H,16,21)(H3,15,17,18,19,20)
InChIKeyZHQFPEKPPGNTIJ-UHFFFAOYSA-N
XLogP1.83
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 175495147) is 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCC(F)(F)CC2)nc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZHQFPEKPPGNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N7/c13-12(14)4-1-7(2-5-12)17-11-19-9(18-10(15)20-11)8-3-6-16-21-8/h3,6-7H,1-2,4-5H2,(H,16,21)(H3,15,17,18,19,20).
What are the key properties of 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175495147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).