5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile

C15H19N3O — CID 171094594

IUPAC5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1nc2c(cc1N)OCC1CCCCC2CC1
InChIInChI=1S/C15H19N3O/c16-8-13-12(17)7-14-15(18-13)11-4-2-1-3-10(5-6-11)9-19-14/h7,10-11H,1-6,9,17H2
InChIKeyLETRLOVBSJBWAO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds

About 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile

5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile (PubChem CID 171094594) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile.

Molecular Properties

Compound Name5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile
PubChem CID171094594
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1nc2c(cc1N)OCC1CCCCC2CC1
InChIInChI=1S/C15H19N3O/c16-8-13-12(17)7-14-15(18-13)11-4-2-1-3-10(5-6-11)9-19-14/h7,10-11H,1-6,9,17H2
InChIKeyLETRLOVBSJBWAO-UHFFFAOYSA-N
XLogP2.98
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile with MolForge

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Related Compounds

(11R)-2-methyl-6-nitro-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile
CID 171094500
5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile
CID 66009070
6-amino-2-cyclohexylpyrimidine-4-carbonitrile
CID 116862724
6-amino-2-cyclopropylpyridine-3-carbonitrile
CID 118665198
4-cyclopentylpyrimidine-2,5-diamine
CID 82409896
2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile
CID 166636407
5-amino-3-cyclohexyl-1,2-thiazole-4-carbonitrile
CID 91620610
6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile
CID 170324009
5-cyclopentyl-2,4-dimethylpyrazol-3-amine
CID 43158729
5-cyclopentyl-2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030161
5-cyclopropyl-2H-triazole-4-carbonitrile
CID 82377924
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile?
The IUPAC name of 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile (CID 171094594) is 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile.
What is the SMILES notation for 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile?
The canonical SMILES for 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile is N#Cc1nc2c(cc1N)OCC1CCCCC2CC1.
What is the InChIKey of 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile?
The InChIKey is LETRLOVBSJBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-8-13-12(17)7-14-15(18-13)11-4-2-1-3-10(5-6-11)9-19-14/h7,10-11H,1-6,9,17H2.
What are the key properties of 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile?
5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile is sourced from PubChem (CID 171094594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).