1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one

C6H7N3O2 — CID 137243996

IUPAC1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
SMILESCn1ncc2c1NC(=O)CO2
InChIInChI=1S/C6H7N3O2/c1-9-6-4(2-7-9)11-3-5(10)8-6/h2H,3H2,1H3,(H,8,10)
InChIKeyPHGSRLSOAFJWOY-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.25
Rot. Bonds

About 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one

1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one (PubChem CID 137243996) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
PubChem CID137243996
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
SMILESCn1ncc2c1NC(=O)CO2
InChIInChI=1S/C6H7N3O2/c1-9-6-4(2-7-9)11-3-5(10)8-6/h2H,3H2,1H3,(H,8,10)
InChIKeyPHGSRLSOAFJWOY-UHFFFAOYSA-N
XLogP-0.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
CID 137226289
1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one
CID 137243957
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
5-chloro-6-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 45275097
7-amino-6-(1-methylpyrazol-4-yl)oxy-4H-1,4-benzoxazin-3-one
CID 116792304
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
6-[(1-methylpyrazol-4-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 28651694
4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
CID 90860605
6-chloro-7-[1-(2-methylpyrazol-3-yl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 106757234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The IUPAC name of 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one (CID 137243996) is 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one.
What is the SMILES notation for 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The canonical SMILES for 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one is Cn1ncc2c1NC(=O)CO2.
What is the InChIKey of 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The InChIKey is PHGSRLSOAFJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-9-6-4(2-7-9)11-3-5(10)8-6/h2H,3H2,1H3,(H,8,10).
What are the key properties of 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one has a molecular weight of 153.14 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one is sourced from PubChem (CID 137243996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).