N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide

C13H15N5O2 — CID 95985471

IUPACN-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C13H15N5O2/c19-13(14-9-10-3-1-8-20-10)11-4-5-12(17-16-11)18-7-2-6-15-18/h2,4-7,10H,1,3,8-9H2,(H,14,19)/t10-/m0/s1
InChIKeyBXXVIOABIAIJMX-JTQLQIEISA-N
MW273.30 g/mol
LogP0.57
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide (PubChem CID 95985471) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
PubChem CID95985471
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C13H15N5O2/c19-13(14-9-10-3-1-8-20-10)11-4-5-12(17-16-11)18-7-2-6-15-18/h2,4-7,10H,1,3,8-9H2,(H,14,19)/t10-/m0/s1
InChIKeyBXXVIOABIAIJMX-JTQLQIEISA-N
XLogP0.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115028
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide (CID 95985471) is N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(-n2cccn2)nn1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The InChIKey is BXXVIOABIAIJMX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(14-9-10-3-1-8-20-10)11-4-5-12(17-16-11)18-7-2-6-15-18/h2,4-7,10H,1,3,8-9H2,(H,14,19)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 95985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).