1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide

C13H21N3O3 — CID 62333857

IUPAC1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CC(C)O)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-16-12(18)7-6-11(14-16)13(19)15(3)9-10(2)17/h6-7,10,17H,4-5,8-9H2,1-3H3
InChIKeyCXZBGYXOONMXAW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.50
Rot. Bonds6

About 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 62333857) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID62333857
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CC(C)O)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-16-12(18)7-6-11(14-16)13(19)15(3)9-10(2)17/h6-7,10,17H,4-5,8-9H2,1-3H3
InChIKeyCXZBGYXOONMXAW-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 62333857) is 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)CC(C)O)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CXZBGYXOONMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-8-16-12(18)7-6-11(14-16)13(19)15(3)9-10(2)17/h6-7,10,17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 62333857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).