4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine

C10H15ClN4O — CID 79114214

IUPAC4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H15ClN4O/c1-4-5-6-7-16-10-13-8(11)12-9(14-10)15(2)3/h4H,1,5-7H2,2-3H3
InChIKeyXWMBUQKESWAWQW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.94
Rot. Bonds6

About 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine (PubChem CID 79114214) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
PubChem CID79114214
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H15ClN4O/c1-4-5-6-7-16-10-13-8(11)12-9(14-10)15(2)3/h4H,1,5-7H2,2-3H3
InChIKeyXWMBUQKESWAWQW-UHFFFAOYSA-N
XLogP1.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine (CID 79114214) is 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine is C=CCCCOc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The InChIKey is XWMBUQKESWAWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-4-5-6-7-16-10-13-8(11)12-9(14-10)15(2)3/h4H,1,5-7H2,2-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 79114214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).