6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide

C11H14ClN3O2 — CID 63712476

IUPAC6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)13-7-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,13,16)
InChIKeyYTRJNCSWIXWJIA-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.29
Rot. Bonds3

About 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide

6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 63712476) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID63712476
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)13-7-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,13,16)
InChIKeyYTRJNCSWIXWJIA-UHFFFAOYSA-N
XLogP1.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
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-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
5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104642789
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
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
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide (CID 63712476) is 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCC1CCOCC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is YTRJNCSWIXWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)13-7-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,13,16).
What are the key properties of 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 63712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).