5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile

C14H22N4O — CID 154789861

IUPAC5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile
SMILESN#CC1(C(=O)N2CCNCCNCC2)CC2(CC2)C1
InChIInChI=1S/C14H22N4O/c15-11-14(9-13(10-14)1-2-13)12(19)18-7-5-16-3-4-17-6-8-18/h16-17H,1-10H2
InChIKeyHTLQPNZVXISZCN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.09
Rot. Bonds1

About 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile

5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile (PubChem CID 154789861) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile.

Molecular Properties

Compound Name5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile
PubChem CID154789861
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile
SMILESN#CC1(C(=O)N2CCNCCNCC2)CC2(CC2)C1
InChIInChI=1S/C14H22N4O/c15-11-14(9-13(10-14)1-2-13)12(19)18-7-5-16-3-4-17-6-8-18/h16-17H,1-10H2
InChIKeyHTLQPNZVXISZCN-UHFFFAOYSA-N
XLogP0.09
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile?
The IUPAC name of 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile (CID 154789861) is 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile.
What is the SMILES notation for 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile?
The canonical SMILES for 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile is N#CC1(C(=O)N2CCNCCNCC2)CC2(CC2)C1.
What is the InChIKey of 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile?
The InChIKey is HTLQPNZVXISZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-11-14(9-13(10-14)1-2-13)12(19)18-7-5-16-3-4-17-6-8-18/h16-17H,1-10H2.
What are the key properties of 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile?
5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4,7-triazonane-1-carbonyl)spiro[2.3]hexane-5-carbonitrile is sourced from PubChem (CID 154789861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).