3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine

C7H6Cl2F2N4 — CID 130648218

IUPAC3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
SMILESFC1(F)CCN(c2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C7H6Cl2F2N4/c8-4-5(12-6(9)14-13-4)15-2-1-7(10,11)3-15/h1-3H2
InChIKeyIJQIYNRHJAPFDM-UHFFFAOYSA-N
MW255.05 g/mol
LogP2.02
Rot. Bonds1

About 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine

3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine (PubChem CID 130648218) has the molecular formula C7H6Cl2F2N4 and a molecular weight of 255.05 g/mol. Its IUPAC name is 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
PubChem CID130648218
Molecular FormulaC7H6Cl2F2N4
Molecular Weight255.05 g/mol
Exact Mass253.99
IUPAC Name3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
SMILESFC1(F)CCN(c2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C7H6Cl2F2N4/c8-4-5(12-6(9)14-13-4)15-2-1-7(10,11)3-15/h1-3H2
InChIKeyIJQIYNRHJAPFDM-UHFFFAOYSA-N
XLogP2.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 13073052
CID 13073052
CID 81035201
CID 81035201
CID 81035504
CID 81035504
CID 81036095
CID 81036095
CID 81036135
CID 81036135
CID 81036533
CID 81036533
CID 81036745
CID 81036745
CID 81036746
CID 81036746
CID 81037431
CID 81037431
CID 81037814
CID 81037814
CID 105938522
CID 105938522
CID 106192709
CID 106192709

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine (CID 130648218) is 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine is FC1(F)CCN(c2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The InChIKey is IJQIYNRHJAPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2N4/c8-4-5(12-6(9)14-13-4)15-2-1-7(10,11)3-15/h1-3H2.
What are the key properties of 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine has a molecular weight of 255.05 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 130648218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).