1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide

C12H18N4O3 — CID 30472046

IUPAC1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h4-5,8H,6-7H2,1-3H3,(H,13,18)(H,14,19)
InChIKeySJNZLBPPSHVVMJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds5

About 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 30472046) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID30472046
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h4-5,8H,6-7H2,1-3H3,(H,13,18)(H,14,19)
InChIKeySJNZLBPPSHVVMJ-UHFFFAOYSA-N
XLogP-0.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 1932907
CID 1932907
CID 12787584
CID 12787584
CID 45827987
CID 45827987
CID 13103485
CID 13103485
CID 42443181
CID 42443181
CID 42443194
CID 42443194
CID 44012303
CID 44012303
CID 31095761
CID 31095761
CID 40151649
CID 40151649
CID 45850331
CID 45850331
CID 129531435
CID 129531435
CID 55712911
CID 55712911

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide (CID 30472046) is 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide is CC(C)C(=O)NCCNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is SJNZLBPPSHVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h4-5,8H,6-7H2,1-3H3,(H,13,18)(H,14,19).
What are the key properties of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30472046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).