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

C14H24N4O — CID 66027455

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCOC2CCCC21
InChIInChI=1S/C14H24N4O/c1-3-7-18-14(13(15)10(2)16-18)17-8-9-19-12-6-4-5-11(12)17/h11-12H,3-9,15H2,1-2H3
InChIKeySBBOFYUAMHLYGE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds3

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

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66027455) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66027455
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCOC2CCCC21
InChIInChI=1S/C14H24N4O/c1-3-7-18-14(13(15)10(2)16-18)17-8-9-19-12-6-4-5-11(12)17/h11-12H,3-9,15H2,1-2H3
InChIKeySBBOFYUAMHLYGE-UHFFFAOYSA-N
XLogP1.94
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine (CID 66027455) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1N1CCOC2CCCC21.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is SBBOFYUAMHLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-7-18-14(13(15)10(2)16-18)17-8-9-19-12-6-4-5-11(12)17/h11-12H,3-9,15H2,1-2H3.
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66027455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).