N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride

C10H15ClF2N4 — CID 118741710

IUPACN-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride
SMILESCl.FC(F)CNc1cnc(C2CCCN2)cn1
InChIInChI=1S/C10H14F2N4.ClH/c11-9(12)5-16-10-6-14-8(4-15-10)7-2-1-3-13-7;/h4,6-7,9,13H,1-3,5H2,(H,15,16);1H
InChIKeyKKBFOFQZPRSNAI-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.00
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride

N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride (PubChem CID 118741710) has the molecular formula C10H15ClF2N4 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride
PubChem CID118741710
Molecular FormulaC10H15ClF2N4
Molecular Weight264.71 g/mol
Exact Mass264.10
IUPAC NameN-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride
SMILESCl.FC(F)CNc1cnc(C2CCCN2)cn1
InChIInChI=1S/C10H14F2N4.ClH/c11-9(12)5-16-10-6-14-8(4-15-10)7-2-1-3-13-7;/h4,6-7,9,13H,1-3,5H2,(H,15,16);1H
InChIKeyKKBFOFQZPRSNAI-UHFFFAOYSA-N
XLogP2.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride (CID 118741710) is N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride is Cl.FC(F)CNc1cnc(C2CCCN2)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride?
The InChIKey is KKBFOFQZPRSNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4.ClH/c11-9(12)5-16-10-6-14-8(4-15-10)7-2-1-3-13-7;/h4,6-7,9,13H,1-3,5H2,(H,15,16);1H.
What are the key properties of N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride?
N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride is sourced from PubChem (CID 118741710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).