(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C15H19Cl2N5O — CID 120728916

IUPAC(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1cnc(C(=O)N2CCNCC2c2cccnc2)cn1.Cl.Cl
InChIInChI=1S/C15H17N5O.2ClH/c1-11-7-19-13(9-18-11)15(21)20-6-5-17-10-14(20)12-3-2-4-16-8-12;;/h2-4,7-9,14,17H,5-6,10H2,1H3;2*1H
InChIKeyLADZXGYRAGMFED-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.81
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120728916) has the molecular formula C15H19Cl2N5O and a molecular weight of 356.26 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120728916
Molecular FormulaC15H19Cl2N5O
Molecular Weight356.26 g/mol
Exact Mass355.10
IUPAC Name(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1cnc(C(=O)N2CCNCC2c2cccnc2)cn1.Cl.Cl
InChIInChI=1S/C15H17N5O.2ClH/c1-11-7-19-13(9-18-11)15(21)20-6-5-17-10-14(20)12-3-2-4-16-8-12;;/h2-4,7-9,14,17H,5-6,10H2,1H3;2*1H
InChIKeyLADZXGYRAGMFED-UHFFFAOYSA-N
XLogP1.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120728916) is (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cc1cnc(C(=O)N2CCNCC2c2cccnc2)cn1.Cl.Cl.
What is the InChIKey of (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is LADZXGYRAGMFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.2ClH/c1-11-7-19-13(9-18-11)15(21)20-6-5-17-10-14(20)12-3-2-4-16-8-12;;/h2-4,7-9,14,17H,5-6,10H2,1H3;2*1H.
What are the key properties of (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 356.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120728916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).