5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride

C10H16Cl2N4O2 — CID 170916735

IUPAC5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCN(c2cnc(C(=O)O)cn2)CC1.Cl.Cl
InChIInChI=1S/C10H14N4O2.2ClH/c1-13-2-4-14(5-3-13)9-7-11-8(6-12-9)10(15)16;;/h6-7H,2-5H2,1H3,(H,15,16);2*1H
InChIKeyRVCLCTBFTZVFON-UHFFFAOYSA-N
MW295.17 g/mol
LogP0.77
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride

5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride (PubChem CID 170916735) has the molecular formula C10H16Cl2N4O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
PubChem CID170916735
Molecular FormulaC10H16Cl2N4O2
Molecular Weight295.17 g/mol
Exact Mass294.07
IUPAC Name5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCN(c2cnc(C(=O)O)cn2)CC1.Cl.Cl
InChIInChI=1S/C10H14N4O2.2ClH/c1-13-2-4-14(5-3-13)9-7-11-8(6-12-9)10(15)16;;/h6-7H,2-5H2,1H3,(H,15,16);2*1H
InChIKeyRVCLCTBFTZVFON-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
5-[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122058042
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid
CID 168758684
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride (CID 170916735) is 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride is CN1CCN(c2cnc(C(=O)O)cn2)CC1.Cl.Cl.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride?
The InChIKey is RVCLCTBFTZVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.2ClH/c1-13-2-4-14(5-3-13)9-7-11-8(6-12-9)10(15)16;;/h6-7H,2-5H2,1H3,(H,15,16);2*1H.
What are the key properties of 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride?
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride has a molecular weight of 295.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 170916735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).