[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea

C9H10N6O2 — CID 70769894

IUPAC[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
SMILESCc1ccc(-c2noc(CNC(N)=O)n2)nn1
InChIInChI=1S/C9H10N6O2/c1-5-2-3-6(14-13-5)8-12-7(17-15-8)4-11-9(10)16/h2-3H,4H2,1H3,(H3,10,11,16)
InChIKeyFDUXCOCWNAWZAH-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.00
Rot. Bonds3

About [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea

[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea (PubChem CID 70769894) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea.

Molecular Properties

Compound Name[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
PubChem CID70769894
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
SMILESCc1ccc(-c2noc(CNC(N)=O)n2)nn1
InChIInChI=1S/C9H10N6O2/c1-5-2-3-6(14-13-5)8-12-7(17-15-8)4-11-9(10)16/h2-3H,4H2,1H3,(H3,10,11,16)
InChIKeyFDUXCOCWNAWZAH-UHFFFAOYSA-N
XLogP0.00
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 72863527
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70753725
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
1-(6-methylpyridazin-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121119074
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72908986
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea?
The IUPAC name of [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea (CID 70769894) is [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea.
What is the SMILES notation for [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea?
The canonical SMILES for [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea is Cc1ccc(-c2noc(CNC(N)=O)n2)nn1.
What is the InChIKey of [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea?
The InChIKey is FDUXCOCWNAWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-5-2-3-6(14-13-5)8-12-7(17-15-8)4-11-9(10)16/h2-3H,4H2,1H3,(H3,10,11,16).
What are the key properties of [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea?
[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea has a molecular weight of 234.22 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea is sourced from PubChem (CID 70769894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).