2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine

C13H21N5 — CID 112739456

IUPAC2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine
SMILESCc1nccnc1N1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H21N5/c1-11-13(16-4-3-15-11)18-7-2-12(10-18)17-8-5-14-6-9-17/h3-4,12,14H,2,5-10H2,1H3
InChIKeyFCZSRESXPBSQMX-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.27
Rot. Bonds2

About 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine

2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine (PubChem CID 112739456) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine
PubChem CID112739456
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine
SMILESCc1nccnc1N1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H21N5/c1-11-13(16-4-3-15-11)18-7-2-12(10-18)17-8-5-14-6-9-17/h3-4,12,14H,2,5-10H2,1H3
InChIKeyFCZSRESXPBSQMX-UHFFFAOYSA-N
XLogP0.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
1-[1-(3-methylpyrazin-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976639
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
5-methyl-6-(4-piperazin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 90166098
1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
CID 66196590
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 55158995
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
CID 66196786
6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57398843
4-(3-piperazin-1-ylazetidin-1-yl)furo[3,2-c]pyridine
CID 106535332
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine?
The IUPAC name of 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine (CID 112739456) is 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine.
What is the SMILES notation for 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine?
The canonical SMILES for 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine is Cc1nccnc1N1CCC(N2CCNCC2)C1.
What is the InChIKey of 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine?
The InChIKey is FCZSRESXPBSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11-13(16-4-3-15-11)18-7-2-12(10-18)17-8-5-14-6-9-17/h3-4,12,14H,2,5-10H2,1H3.
What are the key properties of 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine?
2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine has a molecular weight of 247.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine is sourced from PubChem (CID 112739456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).