5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine

C15H26N4O — CID 66027456

IUPAC5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCOC2CCCCC21
InChIInChI=1S/C15H26N4O/c1-3-8-19-15(14(16)11(2)17-19)18-9-10-20-13-7-5-4-6-12(13)18/h12-13H,3-10,16H2,1-2H3
InChIKeyGGANVTZHCXVCKK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.33
Rot. Bonds3

About 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66027456) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66027456
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCOC2CCCCC21
InChIInChI=1S/C15H26N4O/c1-3-8-19-15(14(16)11(2)17-19)18-9-10-20-13-7-5-4-6-12(13)18/h12-13H,3-10,16H2,1-2H3
InChIKeyGGANVTZHCXVCKK-UHFFFAOYSA-N
XLogP2.33
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine (CID 66027456) is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1N1CCOC2CCCCC21.
What is the InChIKey of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is GGANVTZHCXVCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-19-15(14(16)11(2)17-19)18-9-10-20-13-7-5-4-6-12(13)18/h12-13H,3-10,16H2,1-2H3.
What are the key properties of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66027456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).