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

C15H26N4O — CID 66018492

IUPAC5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCOC3CCCCC32)c1N
InChIInChI=1S/C15H26N4O/c1-3-6-11-14(16)15(18(2)17-11)19-9-10-20-13-8-5-4-7-12(13)19/h12-13H,3-10,16H2,1-2H3
InChIKeyOGOQSRLSJNZJSR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.10
Rot. Bonds3

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

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018492) 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)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018492
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)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCOC3CCCCC32)c1N
InChIInChI=1S/C15H26N4O/c1-3-6-11-14(16)15(18(2)17-11)19-9-10-20-13-8-5-4-7-12(13)19/h12-13H,3-10,16H2,1-2H3
InChIKeyOGOQSRLSJNZJSR-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine (CID 66018492) is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-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)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCOC3CCCCC32)c1N.
What is the InChIKey of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is OGOQSRLSJNZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-6-11-14(16)15(18(2)17-11)19-9-10-20-13-8-5-4-7-12(13)19/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)-1-methyl-3-propylpyrazol-4-amine?
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.10, 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)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).