3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide

C8H10ClN3O3 — CID 138634157

IUPAC3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C8H10ClN3O3/c1-4(3-13)10-7(14)5-2-6(9)11-12-8(5)15/h2,4,13H,3H2,1H3,(H,10,14)(H,12,15)/t4-/m0/s1
InChIKeySBAAIEWWFPNHAK-BYPYZUCNSA-N
MW231.64 g/mol
LogP-0.47
Rot. Bonds3

About 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 138634157) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID138634157
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C8H10ClN3O3/c1-4(3-13)10-7(14)5-2-6(9)11-12-8(5)15/h2,4,13H,3H2,1H3,(H,10,14)(H,12,15)/t4-/m0/s1
InChIKeySBAAIEWWFPNHAK-BYPYZUCNSA-N
XLogP-0.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide (CID 138634157) is 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide is C[C@@H](CO)NC(=O)c1cc(Cl)n[nH]c1=O.
What is the InChIKey of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is SBAAIEWWFPNHAK-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-4(3-13)10-7(14)5-2-6(9)11-12-8(5)15/h2,4,13H,3H2,1H3,(H,10,14)(H,12,15)/t4-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 231.64 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 138634157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).