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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Related Compounds

2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid
CID 105460244
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylpropan-2-amine
CID 105446561
2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol
CID 105477919
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
CID 105432481
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
CID 105490793
1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane
CID 126582931
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
CID 105436864
3-cyclohexyl-N-methyl-1,2,4-triazin-5-amine
CID 116823977
1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105478392
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988

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).