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

C10H16N4O — CID 114998479

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1CCOC2CCCC21
InChIInChI=1S/C10H16N4O/c11-10-8(6-12-13-10)14-4-5-15-9-3-1-2-7(9)14/h6-7,9H,1-5H2,(H3,11,12,13)
InChIKeyGJPDENITENONSY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds1

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine (PubChem CID 114998479) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine
PubChem CID114998479
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1CCOC2CCCC21
InChIInChI=1S/C10H16N4O/c11-10-8(6-12-13-10)14-4-5-15-9-3-1-2-7(9)14/h6-7,9H,1-5H2,(H3,11,12,13)
InChIKeyGJPDENITENONSY-UHFFFAOYSA-N
XLogP0.75
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine (CID 114998479) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1N1CCOC2CCCC21.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine?
The InChIKey is GJPDENITENONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-8(6-12-13-10)14-4-5-15-9-3-1-2-7(9)14/h6-7,9H,1-5H2,(H3,11,12,13).
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine has a molecular weight of 208.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 114998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).