4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide

C10H13ClN4O2 — CID 104513819

IUPAC4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)5-15-3-4-17-6-8(15)10(12)16/h1-2,8H,3-6H2,(H2,12,16)
InChIKeyWKMBRNKAVQJFCF-UHFFFAOYSA-N
MW256.69 g/mol
LogP-0.18
Rot. Bonds3

About 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide

4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide (PubChem CID 104513819) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
PubChem CID104513819
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)5-15-3-4-17-6-8(15)10(12)16/h1-2,8H,3-6H2,(H2,12,16)
InChIKeyWKMBRNKAVQJFCF-UHFFFAOYSA-N
XLogP-0.18
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide (CID 104513819) is 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide?
The InChIKey is WKMBRNKAVQJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)5-15-3-4-17-6-8(15)10(12)16/h1-2,8H,3-6H2,(H2,12,16).
What are the key properties of 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide?
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 104513819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).