N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H17N3O3 — CID 65114040

IUPACN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O3/c16-10-5-4-9(14-15-10)11(17)13-8-12(18)6-2-1-3-7-12/h4-5,18H,1-3,6-8H2,(H,13,17)(H,15,16)
InChIKeyDJBRGAOFNCYVHJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.19
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 65114040) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID65114040
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O3/c16-10-5-4-9(14-15-10)11(17)13-8-12(18)6-2-1-3-7-12/h4-5,18H,1-3,6-8H2,(H,13,17)(H,15,16)
InChIKeyDJBRGAOFNCYVHJ-UHFFFAOYSA-N
XLogP0.19
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 65114040) is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC1(O)CCCCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DJBRGAOFNCYVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-5-4-9(14-15-10)11(17)13-8-12(18)6-2-1-3-7-12/h4-5,18H,1-3,6-8H2,(H,13,17)(H,15,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 65114040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).