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

C7H7ClF2N4 — CID 171629965

IUPAC3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
SMILESFC1(F)CCN(c2cnnc(Cl)n2)C1
InChIInChI=1S/C7H7ClF2N4/c8-6-12-5(3-11-13-6)14-2-1-7(9,10)4-14/h3H,1-2,4H2
InChIKeyMAEXVPYUYDQFPO-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.37
Rot. Bonds1

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

3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine (PubChem CID 171629965) has the molecular formula C7H7ClF2N4 and a molecular weight of 220.61 g/mol. Its IUPAC name is 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
PubChem CID171629965
Molecular FormulaC7H7ClF2N4
Molecular Weight220.61 g/mol
Exact Mass220.03
IUPAC Name3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine
SMILESFC1(F)CCN(c2cnnc(Cl)n2)C1
InChIInChI=1S/C7H7ClF2N4/c8-6-12-5(3-11-13-6)14-2-1-7(9,10)4-14/h3H,1-2,4H2
InChIKeyMAEXVPYUYDQFPO-UHFFFAOYSA-N
XLogP1.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine (CID 171629965) is 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine is FC1(F)CCN(c2cnnc(Cl)n2)C1.
What is the InChIKey of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
The InChIKey is MAEXVPYUYDQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N4/c8-6-12-5(3-11-13-6)14-2-1-7(9,10)4-14/h3H,1-2,4H2.
What are the key properties of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine?
3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine has a molecular weight of 220.61 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 171629965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).