[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C11H15N9O — CID 80925470

IUPAC[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(N2CC3CCC(C2)O3)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N9O/c12-18-9-15-10(17-11(16-9)20-6-13-5-14-20)19-3-7-1-2-8(4-19)21-7/h5-8H,1-4,12H2,(H,15,16,17,18)
InChIKeyOWQIHQAMQPZOJS-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.89
Rot. Bonds3

About [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80925470) has the molecular formula C11H15N9O and a molecular weight of 289.30 g/mol. Its IUPAC name is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80925470
Molecular FormulaC11H15N9O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(N2CC3CCC(C2)O3)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N9O/c12-18-9-15-10(17-11(16-9)20-6-13-5-14-20)19-3-7-1-2-8(4-19)21-7/h5-8H,1-4,12H2,(H,15,16,17,18)
InChIKeyOWQIHQAMQPZOJS-UHFFFAOYSA-N
XLogP-0.89
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
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[4-piperazin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80918042
4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
N-(1,1-dioxothiolan-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80912949
[4-(4,5-dimethylimidazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900370
4-hydrazinyl-N-(thian-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80929006
5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80910159
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 115563123
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938

Frequently Asked Questions

What is the IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80925470) is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is NNc1nc(N2CC3CCC(C2)O3)nc(-n2cncn2)n1.
What is the InChIKey of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is OWQIHQAMQPZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N9O/c12-18-9-15-10(17-11(16-9)20-6-13-5-14-20)19-3-7-1-2-8(4-19)21-7/h5-8H,1-4,12H2,(H,15,16,17,18).
What are the key properties of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 289.30 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80925470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).