5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine

C13H17N3O — CID 176520308

IUPAC5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine
SMILESCN1CCN2C3=C(C=C=C(N)C=C3)OCC2C1
InChIInChI=1S/C13H17N3O/c1-15-6-7-16-11(8-15)9-17-13-5-3-10(14)2-4-12(13)16/h2,4-5,11H,6-9,14H2,1H3
InChIKeyAATNFNNAEFEYRR-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.41
Rot. Bonds

About 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine

5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine (PubChem CID 176520308) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine.

Molecular Properties

Compound Name5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine
PubChem CID176520308
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine
SMILESCN1CCN2C3=C(C=C=C(N)C=C3)OCC2C1
InChIInChI=1S/C13H17N3O/c1-15-6-7-16-11(8-15)9-17-13-5-3-10(14)2-4-12(13)16/h2,4-5,11H,6-9,14H2,1H3
InChIKeyAATNFNNAEFEYRR-UHFFFAOYSA-N
XLogP0.41
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine with MolForge

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Related Compounds

ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202705
4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155016683
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694984
ethane;(1E)-1-(3-ethenyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-id-4-yl)buta-1,3-dien-2-amine;rutherfordium
CID 155695018
(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202706
(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694985
(1E)-1-(3-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-yl)buta-1,3-dien-2-amine
CID 155695019

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine?
The IUPAC name of 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine (CID 176520308) is 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine.
What is the SMILES notation for 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine?
The canonical SMILES for 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine is CN1CCN2C3=C(C=C=C(N)C=C3)OCC2C1.
What is the InChIKey of 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine?
The InChIKey is AATNFNNAEFEYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15-6-7-16-11(8-15)9-17-13-5-3-10(14)2-4-12(13)16/h2,4-5,11H,6-9,14H2,1H3.
What are the key properties of 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine?
5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine has a molecular weight of 231.30 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine is sourced from PubChem (CID 176520308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).