2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

C18H30N4 — CID 146070985

IUPAC2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SMILESCCc1nc(C2CN(C3CCCCC3)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H30N4/c1-2-16-19-17(21-20-16)15-12-22(14-8-4-3-5-9-14)13-18(15)10-6-7-11-18/h14-15H,2-13H2,1H3,(H,19,20,21)
InChIKeyCJVSZNUDSFCBKR-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.66
Rot. Bonds3

About 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane (PubChem CID 146070985) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
PubChem CID146070985
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SMILESCCc1nc(C2CN(C3CCCCC3)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H30N4/c1-2-16-19-17(21-20-16)15-12-22(14-8-4-3-5-9-14)13-18(15)10-6-7-11-18/h14-15H,2-13H2,1H3,(H,19,20,21)
InChIKeyCJVSZNUDSFCBKR-UHFFFAOYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The IUPAC name of 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane (CID 146070985) is 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane is CCc1nc(C2CN(C3CCCCC3)CC23CCCC3)n[nH]1.
What is the InChIKey of 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The InChIKey is CJVSZNUDSFCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-2-16-19-17(21-20-16)15-12-22(14-8-4-3-5-9-14)13-18(15)10-6-7-11-18/h14-15H,2-13H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane has a molecular weight of 302.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 146070985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).