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

C9H15N3O — CID 146613786

IUPACN,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCNc1cnn2c1OCC(C)(C)C2
InChIInChI=1S/C9H15N3O/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12/h4,10H,5-6H2,1-3H3
InChIKeyBWPRRILZCUSNDW-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.34
Rot. Bonds1

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

N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 146613786) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound NameN,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID146613786
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCNc1cnn2c1OCC(C)(C)C2
InChIInChI=1S/C9H15N3O/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12/h4,10H,5-6H2,1-3H3
InChIKeyBWPRRILZCUSNDW-UHFFFAOYSA-N
XLogP1.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(2-methoxyethoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CID 102565535
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
1-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
CID 66509586
3-(2,2-difluoroethoxy)-1-methyl-1H-pyrazol-4-amine
CID 66509587
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

Frequently Asked Questions

What is the IUPAC name of N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (CID 146613786) is N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is CNc1cnn2c1OCC(C)(C)C2.
What is the InChIKey of N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is BWPRRILZCUSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2)5-12-8(13-6-9)7(10-3)4-11-12/h4,10H,5-6H2,1-3H3.
What are the key properties of N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 181.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 146613786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).