2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile

C14H23N5 — CID 54592162

IUPAC2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile
SMILESCCCCC(C#N)n1cc(C2(N)CCCCC2)nn1
InChIInChI=1S/C14H23N5/c1-2-3-7-12(10-15)19-11-13(17-18-19)14(16)8-5-4-6-9-14/h11-12H,2-9,16H2,1H3
InChIKeyCNBOXFPMNCGKIG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile

2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile (PubChem CID 54592162) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile.

Molecular Properties

Compound Name2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile
PubChem CID54592162
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile
SMILESCCCCC(C#N)n1cc(C2(N)CCCCC2)nn1
InChIInChI=1S/C14H23N5/c1-2-3-7-12(10-15)19-11-13(17-18-19)14(16)8-5-4-6-9-14/h11-12H,2-9,16H2,1H3
InChIKeyCNBOXFPMNCGKIG-UHFFFAOYSA-N
XLogP2.65
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile?
The IUPAC name of 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile (CID 54592162) is 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile.
What is the SMILES notation for 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile?
The canonical SMILES for 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile is CCCCC(C#N)n1cc(C2(N)CCCCC2)nn1.
What is the InChIKey of 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile?
The InChIKey is CNBOXFPMNCGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-3-7-12(10-15)19-11-13(17-18-19)14(16)8-5-4-6-9-14/h11-12H,2-9,16H2,1H3.
What are the key properties of 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile?
2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclohexyl)triazol-1-yl]hexanenitrile is sourced from PubChem (CID 54592162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).