3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide

C11H18N6O2 — CID 170127791

IUPAC3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCNc1nc(N2CCN(C)CC2)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C11H18N6O2/c1-13-9-7(8(12)18)14-11(19)10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H2,12,18)(H,13,15)(H,14,19)
InChIKeyUIKXOXCHRZLJPV-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.34
Rot. Bonds3

About 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide

3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 170127791) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID170127791
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCNc1nc(N2CCN(C)CC2)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C11H18N6O2/c1-13-9-7(8(12)18)14-11(19)10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H2,12,18)(H,13,15)(H,14,19)
InChIKeyUIKXOXCHRZLJPV-UHFFFAOYSA-N
XLogP-1.34
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide (CID 170127791) is 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide is CNc1nc(N2CCN(C)CC2)c(=O)[nH]c1C(N)=O.
What is the InChIKey of 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is UIKXOXCHRZLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-13-9-7(8(12)18)14-11(19)10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H2,12,18)(H,13,15)(H,14,19).
What are the key properties of 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide?
3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 170127791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).