1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine

C13H22N4 — CID 105495246

IUPAC1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nncc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-10(14-2)13-16-12(9-15-17-13)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyKVHCPCMYXQONGF-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine

1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine (PubChem CID 105495246) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine
PubChem CID105495246
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nncc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-10(14-2)13-16-12(9-15-17-13)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyKVHCPCMYXQONGF-UHFFFAOYSA-N
XLogP2.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine?
The IUPAC name of 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine (CID 105495246) is 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine is CNC(C)c1nncc(C2CCCCCC2)n1.
What is the InChIKey of 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine?
The InChIKey is KVHCPCMYXQONGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(14-2)13-16-12(9-15-17-13)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine?
1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine has a molecular weight of 234.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine is sourced from PubChem (CID 105495246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).