6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine

C19H24F7N7 — CID 136981921

IUPAC6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(C2CCC(F)(F)CC2)(n2ccc(C(F)(F)F)n2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H24F7N7/c20-16(21)6-1-11(2-7-16)19(33-10-5-13(32-33)18(24,25)26)30-14(27)29-15(31-19)28-12-3-8-17(22,23)9-4-12/h5,10-12H,1-4,6-9H2,(H4,27,28,29,30,31)
InChIKeyRAUQQGMQRDENCT-UHFFFAOYSA-N
MW483.44 g/mol
LogP3.78
Rot. Bonds3

About 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine

6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 136981921) has the molecular formula C19H24F7N7 and a molecular weight of 483.44 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID136981921
Molecular FormulaC19H24F7N7
Molecular Weight483.44 g/mol
Exact Mass483.20
IUPAC Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(C2CCC(F)(F)CC2)(n2ccc(C(F)(F)F)n2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H24F7N7/c20-16(21)6-1-11(2-7-16)19(33-10-5-13(32-33)18(24,25)26)30-14(27)29-15(31-19)28-12-3-8-17(22,23)9-4-12/h5,10-12H,1-4,6-9H2,(H4,27,28,29,30,31)
InChIKeyRAUQQGMQRDENCT-UHFFFAOYSA-N
XLogP3.78
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 136981921) is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1=NC(C2CCC(F)(F)CC2)(n2ccc(C(F)(F)F)n2)N/C(=N/C2CCC(F)(F)CC2)N1.
What is the InChIKey of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is RAUQQGMQRDENCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F7N7/c20-16(21)6-1-11(2-7-16)19(33-10-5-13(32-33)18(24,25)26)30-14(27)29-15(31-19)28-12-3-8-17(22,23)9-4-12/h5,10-12H,1-4,6-9H2,(H4,27,28,29,30,31).
What are the key properties of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 483.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136981921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).