N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C12H14N6O2 — CID 106895984

IUPACN-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccnn1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H14N6O2/c19-11(14-7-8-3-1-6-15-17-8)10-16-12(20-18-10)9-4-2-5-13-9/h1,3,6,9,13H,2,4-5,7H2,(H,14,19)
InChIKeyFSXCNANOIZJHBL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.21
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106895984) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID106895984
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccnn1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H14N6O2/c19-11(14-7-8-3-1-6-15-17-8)10-16-12(20-18-10)9-4-2-5-13-9/h1,3,6,9,13H,2,4-5,7H2,(H,14,19)
InChIKeyFSXCNANOIZJHBL-UHFFFAOYSA-N
XLogP0.21
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284
N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742485
N-[(5-methylpyrazin-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742280
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742136
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971367
5-pyrrolidin-2-yl-N-(thian-4-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971074
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742509
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102742459

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 106895984) is N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(NCc1cccnn1)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FSXCNANOIZJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-11(14-7-8-3-1-6-15-17-8)10-16-12(20-18-10)9-4-2-5-13-9/h1,3,6,9,13H,2,4-5,7H2,(H,14,19).
What are the key properties of N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106895984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).