1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine

C5H7N3O — CID 59574269

IUPAC1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
SMILESc1n[nH]c2c1NCCO2
InChIInChI=1S/C5H7N3O/c1-2-9-5-4(6-1)3-7-8-5/h3,6H,1-2H2,(H,7,8)
InChIKeyDRHIQTOIWZJZNN-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.21
Rot. Bonds

About 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine

1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine (PubChem CID 59574269) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
PubChem CID59574269
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
SMILESc1n[nH]c2c1NCCO2
InChIInChI=1S/C5H7N3O/c1-2-9-5-4(6-1)3-7-8-5/h3,6H,1-2H2,(H,7,8)
InChIKeyDRHIQTOIWZJZNN-UHFFFAOYSA-N
XLogP0.21
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-3-amine hydrochloride
CID 129896948
6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
CID 84819161
1-propan-2-yl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine
CID 122696751
5-ethoxy-1H-pyrazol-4-amine
CID 126543963
1-methyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]oxazine
CID 130251566
N-(5-propoxy-1H-pyrazol-4-yl)formamide
CID 132182928
5-methoxy-N-methyl-1H-pyrazol-4-amine
CID 135128797
N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
CID 146613786
N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
CID 153395883
N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide
CID 155479853
4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole
CID 170276424
5-ethoxy-N-methyl-1H-pyrazol-4-amine;oxane
CID 178737376

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The IUPAC name of 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine (CID 59574269) is 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine.
What is the SMILES notation for 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The canonical SMILES for 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine is c1n[nH]c2c1NCCO2.
What is the InChIKey of 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The InChIKey is DRHIQTOIWZJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-9-5-4(6-1)3-7-8-5/h3,6H,1-2H2,(H,7,8).
What are the key properties of 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine has a molecular weight of 125.13 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine is sourced from PubChem (CID 59574269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).