4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine

C9H10F4N8 — CID 106294468

IUPAC4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C9H10F4N8/c10-5(11)9(12,13)4-15-6-17-7(20-14)19-8(18-6)21-3-1-2-16-21/h1-3,5H,4,14H2,(H2,15,17,18,19,20)
InChIKeyCRJBOIHFVJWDON-UHFFFAOYSA-N
MW306.23 g/mol
LogP0.66
Rot. Bonds6

About 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 106294468) has the molecular formula C9H10F4N8 and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
PubChem CID106294468
Molecular FormulaC9H10F4N8
Molecular Weight306.23 g/mol
Exact Mass306.10
IUPAC Name4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C9H10F4N8/c10-5(11)9(12,13)4-15-6-17-7(20-14)19-8(18-6)21-3-1-2-16-21/h1-3,5H,4,14H2,(H2,15,17,18,19,20)
InChIKeyCRJBOIHFVJWDON-UHFFFAOYSA-N
XLogP0.66
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine (CID 106294468) is 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine is NNc1nc(NCC(F)(F)C(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is CRJBOIHFVJWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N8/c10-5(11)9(12,13)4-15-6-17-7(20-14)19-8(18-6)21-3-1-2-16-21/h1-3,5H,4,14H2,(H2,15,17,18,19,20).
What are the key properties of 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 306.23 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106294468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).