N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine

C11H20N4O — CID 104924108

IUPACN-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyPVXTZLHMOLZTSI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.72
Rot. Bonds7

About N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 104924108) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID104924108
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyPVXTZLHMOLZTSI-UHFFFAOYSA-N
XLogP1.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 104924108) is N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine is COCCCCCNc1nnc(C)c(C)n1.
What is the InChIKey of N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is PVXTZLHMOLZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15).
What are the key properties of N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).