N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C10H15N3O3 — CID 62332725

IUPACN-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(14)6-12(2)10(16)8-4-5-9(15)13(3)11-8/h4-5,7,14H,6H2,1-3H3
InChIKeyHECVMUZOQUXDOQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.77
Rot. Bonds3

About N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 62332725) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID62332725
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(14)6-12(2)10(16)8-4-5-9(15)13(3)11-8/h4-5,7,14H,6H2,1-3H3
InChIKeyHECVMUZOQUXDOQ-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 62332725) is N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide is CC(O)CN(C)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HECVMUZOQUXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(14)6-12(2)10(16)8-4-5-9(15)13(3)11-8/h4-5,7,14H,6H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 62332725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).