N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H10N4O3 — CID 103710654

IUPACN-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N4O3/c9-6(13)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,12,14)
InChIKeyQMXLVWTYPQLNAO-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.62
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103710654) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103710654
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N4O3/c9-6(13)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,12,14)
InChIKeyQMXLVWTYPQLNAO-UHFFFAOYSA-N
XLogP-1.62
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 102685093
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121054133
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 113375229
6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108542025

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103710654) is N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide is NC(=O)CCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QMXLVWTYPQLNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-6(13)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,12,14).
What are the key properties of N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 210.19 g/mol, XLogP of -1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103710654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).