6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C8H11N3O3 — CID 175869924

IUPAC6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESNC(=O)c1cnn2c1OCC(CO)C2
InChIInChI=1S/C8H11N3O3/c9-7(13)6-1-10-11-2-5(3-12)4-14-8(6)11/h1,5,12H,2-4H2,(H2,9,13)
InChIKeyJNFRMANBMDVQHU-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.02
Rot. Bonds2

About 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 175869924) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID175869924
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESNC(=O)c1cnn2c1OCC(CO)C2
InChIInChI=1S/C8H11N3O3/c9-7(13)6-1-10-11-2-5(3-12)4-14-8(6)11/h1,5,12H,2-4H2,(H2,9,13)
InChIKeyJNFRMANBMDVQHU-UHFFFAOYSA-N
XLogP-1.02
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 52228125
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-carboxylic acid
CID 71777859
5',7'-Dihydrospiro[cyclopropane-1,6'-pyrazolo[3,2-b][1,3]oxazine]-3'-carboxylic acid
CID 71777862
6-methylidene-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 155973290
6-amino-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid hydrochloride
CID 165989038
5',7'-Dihydrospiro[oxetane-3,6'-pyrazolo[3,2-b][1,3]oxazine]-3'-carboxylic acid
CID 167719402

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 175869924) is 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is NC(=O)c1cnn2c1OCC(CO)C2.
What is the InChIKey of 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JNFRMANBMDVQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-7(13)6-1-10-11-2-5(3-12)4-14-8(6)11/h1,5,12H,2-4H2,(H2,9,13).
What are the key properties of 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 175869924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).