1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane

C22H38N4 — CID 126582931

IUPAC1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane
SMILESc1nnc(N2CCCCCCCCC2)nc1C1CCCCCCCCC1
InChIInChI=1S/C22H38N4/c1-3-7-11-15-20(16-12-8-4-1)21-19-23-25-22(24-21)26-17-13-9-5-2-6-10-14-18-26/h19-20H,1-18H2
InChIKeyVSCDFAARJGOBDM-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.03
Rot. Bonds2

About 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane

1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane (PubChem CID 126582931) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane.

Molecular Properties

Compound Name1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane
PubChem CID126582931
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane
SMILESc1nnc(N2CCCCCCCCC2)nc1C1CCCCCCCCC1
InChIInChI=1S/C22H38N4/c1-3-7-11-15-20(16-12-8-4-1)21-19-23-25-22(24-21)26-17-13-9-5-2-6-10-14-18-26/h19-20H,1-18H2
InChIKeyVSCDFAARJGOBDM-UHFFFAOYSA-N
XLogP6.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane?
The IUPAC name of 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane (CID 126582931) is 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane.
What is the SMILES notation for 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane?
The canonical SMILES for 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane is c1nnc(N2CCCCCCCCC2)nc1C1CCCCCCCCC1.
What is the InChIKey of 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane?
The InChIKey is VSCDFAARJGOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4/c1-3-7-11-15-20(16-12-8-4-1)21-19-23-25-22(24-21)26-17-13-9-5-2-6-10-14-18-26/h19-20H,1-18H2.
What are the key properties of 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane?
1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane has a molecular weight of 358.57 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane is sourced from PubChem (CID 126582931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).