2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine

C14H17F3N8 — CID 151138102

IUPAC2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESNNc1ccc(F)c(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H17F3N8/c15-8-1-2-9(25-19)21-10(8)11-22-12(18)24-13(23-11)20-7-3-5-14(16,17)6-4-7/h1-2,7H,3-6,19H2,(H,21,25)(H3,18,20,22,23,24)
InChIKeyMVPSYOCQKWPEAH-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.93
Rot. Bonds4

About 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine

2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine (PubChem CID 151138102) has the molecular formula C14H17F3N8 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
PubChem CID151138102
Molecular FormulaC14H17F3N8
Molecular Weight354.34 g/mol
Exact Mass354.15
IUPAC Name2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESNNc1ccc(F)c(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H17F3N8/c15-8-1-2-9(25-19)21-10(8)11-22-12(18)24-13(23-11)20-7-3-5-14(16,17)6-4-7/h1-2,7H,3-6,19H2,(H,21,25)(H3,18,20,22,23,24)
InChIKeyMVPSYOCQKWPEAH-UHFFFAOYSA-N
XLogP1.93
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-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-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine (CID 151138102) is 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine is NNc1ccc(F)c(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MVPSYOCQKWPEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N8/c15-8-1-2-9(25-19)21-10(8)11-22-12(18)24-13(23-11)20-7-3-5-14(16,17)6-4-7/h1-2,7H,3-6,19H2,(H,21,25)(H3,18,20,22,23,24).
What are the key properties of 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 354.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-difluorocyclohexyl)-6-(3-fluoro-6-hydrazinyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 151138102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).