6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C8H11N3O2 — CID 175814480

IUPAC6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC1COc2cc(C(N)=O)nn2C1
InChIInChI=1S/C8H11N3O2/c1-5-3-11-7(13-4-5)2-6(10-11)8(9)12/h2,5H,3-4H2,1H3,(H2,9,12)
InChIKeySCUSWAYTNFUYBA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.01
Rot. Bonds1

About 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 175814480) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID175814480
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC1COc2cc(C(N)=O)nn2C1
InChIInChI=1S/C8H11N3O2/c1-5-3-11-7(13-4-5)2-6(10-11)8(9)12/h2,5H,3-4H2,1H3,(H2,9,12)
InChIKeySCUSWAYTNFUYBA-UHFFFAOYSA-N
XLogP0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylic acid
CID 21941386
Ethyl 6,7-dihydro-5H-pyrazolo(5,1-b)(1,3)oxazine-2-carboxylate
CID 11845247
5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carbaldehyde
CID 11847129
3-methyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carbaldehyde
CID 151371142
N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789296
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)acetate
CID 71789299
N-(2-(ethylsulfonyl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789395
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylic acid
CID 71777853
ethyl 6-amino-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylate hydrochloride
CID 165652574
6,6-dimethyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carbaldehyde
CID 165664170
6-methylidene-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxylic acid
CID 165996543
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789301

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 175814480) is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC1COc2cc(C(N)=O)nn2C1.
What is the InChIKey of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is SCUSWAYTNFUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-3-11-7(13-4-5)2-6(10-11)8(9)12/h2,5H,3-4H2,1H3,(H2,9,12).
What are the key properties of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 175814480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).