3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine

C9H16N4O — CID 153395827

IUPAC3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine
SMILESCNc1cnn2c1OCC(N(C)C)C2
InChIInChI=1S/C9H16N4O/c1-10-8-4-11-13-5-7(12(2)3)6-14-9(8)13/h4,7,10H,5-6H2,1-3H3
InChIKeyKUPGQDQHEGXMCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds2

About 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine

3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine (PubChem CID 153395827) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine
PubChem CID153395827
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine
SMILESCNc1cnn2c1OCC(N(C)C)C2
InChIInChI=1S/C9H16N4O/c1-10-8-4-11-13-5-7(12(2)3)6-14-9(8)13/h4,7,10H,5-6H2,1-3H3
InChIKeyKUPGQDQHEGXMCW-UHFFFAOYSA-N
XLogP0.25
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine 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
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
1-[4-[4-Amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
CID 146470200
N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
CID 146613140
3-Propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
CID 167237064
N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
CID 170573345

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine?
The IUPAC name of 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine (CID 153395827) is 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine?
The canonical SMILES for 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine is CNc1cnn2c1OCC(N(C)C)C2.
What is the InChIKey of 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine?
The InChIKey is KUPGQDQHEGXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-8-4-11-13-5-7(12(2)3)6-14-9(8)13/h4,7,10H,5-6H2,1-3H3.
What are the key properties of 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine?
3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N,6-N-trimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3,6-diamine is sourced from PubChem (CID 153395827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).