(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile

C12H19N3 — CID 14565958

IUPAC(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN21
InChIInChI=1S/C12H19N3/c13-9-11-8-10-4-1-2-6-14(10)12-5-3-7-15(11)12/h10-12H,1-8H2/t10-,11+,12-/m1/s1
InChIKeyXCOVBSSQEOVGQL-GRYCIOLGSA-N
MW205.30 g/mol
LogP1.56
Rot. Bonds

About (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile

(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile (PubChem CID 14565958) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile.

Molecular Properties

Compound Name(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
PubChem CID14565958
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN21
InChIInChI=1S/C12H19N3/c13-9-11-8-10-4-1-2-6-14(10)12-5-3-7-15(11)12/h10-12H,1-8H2/t10-,11+,12-/m1/s1
InChIKeyXCOVBSSQEOVGQL-GRYCIOLGSA-N
XLogP1.56
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile with MolForge

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Related Compounds

Lzwjlkslnysqfc-arfhvfglsa-
CID 10890345
5-Pentyldecahydro-5H-pyrido[1,2-c]pyrrolo[1,2-a]pyrimidine
CID 606460
5-Butyldecahydro-5H-pyrido[1,2-c]pyrrolo[1,2-a]pyrimidine
CID 616600
Lzwjlkslnysqfc-bzuaxinksa-
CID 10890344
(2S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 370510
5-Propyldecahydro-5H-pyrido[1,2-c]pyrrolo[1,2-a]pyrimidine
CID 495078
(2S,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 11106959
(7S,9R)-7-pentyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 134845314
(7R,9R)-7-pentyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 134845406
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 10867899
Mmlbzhspgliron-xqqfmlrxsa-
CID 21729863
Mmlbzhspgliron-upjwgtaasa-
CID 21729864

Frequently Asked Questions

What is the IUPAC name of (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The IUPAC name of (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile (CID 14565958) is (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile.
What is the SMILES notation for (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The canonical SMILES for (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile is N#C[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN21.
What is the InChIKey of (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The InChIKey is XCOVBSSQEOVGQL-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H19N3/c13-9-11-8-10-4-1-2-6-14(10)12-5-3-7-15(11)12/h10-12H,1-8H2/t10-,11+,12-/m1/s1.
What are the key properties of (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile has a molecular weight of 205.30 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile is sourced from PubChem (CID 14565958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).