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

C13H22N6O2 — CID 80900110

IUPAC[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H22N6O2/c1-2-7-21-13-16-11(18-14)15-12(17-13)19-6-8-20-10-5-3-4-9(10)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyWXHRAKJTLJFWQL-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.70
Rot. Bonds5

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

[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80900110) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80900110
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H22N6O2/c1-2-7-21-13-16-11(18-14)15-12(17-13)19-6-8-20-10-5-3-4-9(10)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyWXHRAKJTLJFWQL-UHFFFAOYSA-N
XLogP0.70
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine with MolForge

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Related Compounds

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80790608
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
[4-(1-methylpiperidin-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80921167
4-hydrazinyl-N-(2-methyloxan-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 114110111
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80899588
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80901082
[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80924501
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333144

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)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80900110) is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(N2CCOC3CCCC32)n1.
What is the InChIKey of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is WXHRAKJTLJFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-7-21-13-16-11(18-14)15-12(17-13)19-6-8-20-10-5-3-4-9(10)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18).
What are the key properties of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 294.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80900110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).