N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H17N5O3 — CID 110673301

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H17N5O3/c1-16-4-6-17(7-5-16)11(19)8-13-12(20)9-2-3-10(18)15-14-9/h2-3H,4-8H2,1H3,(H,13,20)(H,15,18)
InChIKeyXBEWBPSDKUVHFK-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.73
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110673301) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110673301
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H17N5O3/c1-16-4-6-17(7-5-16)11(19)8-13-12(20)9-2-3-10(18)15-14-9/h2-3H,4-8H2,1H3,(H,13,20)(H,15,18)
InChIKeyXBEWBPSDKUVHFK-UHFFFAOYSA-N
XLogP-1.73
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110673301) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is CN1CCN(C(=O)CNC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XBEWBPSDKUVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-16-4-6-17(7-5-16)11(19)8-13-12(20)9-2-3-10(18)15-14-9/h2-3H,4-8H2,1H3,(H,13,20)(H,15,18).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110673301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).