6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide

C10H12ClN3O2 — CID 61052267

IUPAC6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCOC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,12,15)
InChIKeyCRGOKSXJUHIUHK-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.90
Rot. Bonds3

About 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide

6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 61052267) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID61052267
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCOC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,12,15)
InChIKeyCRGOKSXJUHIUHK-UHFFFAOYSA-N
XLogP0.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-hydrazinyl-N-(oxan-3-ylmethyl)pyridazine-3-carboxamide
CID 62249832
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide (CID 61052267) is 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide is O=C(NCC1CCOC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is CRGOKSXJUHIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,12,15).
What are the key properties of 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).