methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C10H19N3O — CID 153395912

IUPACmethanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCCC2.CN
InChIInChI=1S/C9H14N2O.CH5N/c1-7(2)8-6-10-11-4-3-5-12-9(8)11;1-2/h6-7H,3-5H2,1-2H3;2H2,1H3
InChIKeySGRRSQCOIHCPON-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.36
Rot. Bonds1

About methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 153395912) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Namemethanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID153395912
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Namemethanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCCC2.CN
InChIInChI=1S/C9H14N2O.CH5N/c1-7(2)8-6-10-11-4-3-5-12-9(8)11;1-2/h6-7H,3-5H2,1-2H3;2H2,1H3
InChIKeySGRRSQCOIHCPON-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 153395912) is methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)c1cnn2c1OCCC2.CN.
What is the InChIKey of methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is SGRRSQCOIHCPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.CH5N/c1-7(2)8-6-10-11-4-3-5-12-9(8)11;1-2/h6-7H,3-5H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 197.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 153395912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).