ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine

C11H21N3O — CID 153395870

IUPACethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCC.CNc1cnn2c1OCC(C)(C)C2
InChIInChI=1S/C9H15N3O.C2H6/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12;1-2/h4,10H,5-6H2,1-3H3;1-2H3
InChIKeyPFCLCYGQXFTUHP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.37
Rot. Bonds1

About ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine

ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 153395870) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound Nameethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID153395870
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCC.CNc1cnn2c1OCC(C)(C)C2
InChIInChI=1S/C9H15N3O.C2H6/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12;1-2/h4,10H,5-6H2,1-3H3;1-2H3
InChIKeyPFCLCYGQXFTUHP-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine with MolForge

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Related Compounds

3-ethoxy-1-methyl-1H-pyrazol-4-amine
CID 66509584
1-methyl-3-(propan-2-yloxy)-1H-pyrazol-4-amine
CID 66509585
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-3-amine hydrochloride
CID 129896948
1-methyl-3-(propan-2-yloxy)-1H-pyrazol-4-amine hydrochloride
CID 90486277
1-methyl-3-[(3-methylbutan-2-yl)oxy]-1H-pyrazol-4-amine hydrochloride
CID 137943842
3-Amino-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazin-6-ol hydrochloride
CID 154865244
1-ethyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine
CID 86207946
6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
CID 84819161
6,6-Difluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine hydrochloride
CID 132987970
N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 146318128
N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
CID 146613140
N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
CID 170573345

Frequently Asked Questions

What is the IUPAC name of ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (CID 153395870) is ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is CC.CNc1cnn2c1OCC(C)(C)C2.
What is the InChIKey of ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is PFCLCYGQXFTUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12;1-2/h4,10H,5-6H2,1-3H3;1-2H3.
What are the key properties of ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 211.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 153395870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).