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

C11H17ClN4O — CID 80878028

IUPAC4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C11H17ClN4O/c1-3-5-6-8-17-11-15-9(12)14-10(16-11)13-7-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16)
InChIKeyGADCQSLMBXHMOM-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.69
Rot. Bonds8

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

4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80878028) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80878028
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C11H17ClN4O/c1-3-5-6-8-17-11-15-9(12)14-10(16-11)13-7-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16)
InChIKeyGADCQSLMBXHMOM-UHFFFAOYSA-N
XLogP2.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
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-6-pent-4-enoxy-N-propyl-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

Related Compounds

4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 80877207
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine
CID 101229509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine (CID 80878028) is 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine is C=CCCCOc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GADCQSLMBXHMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-5-6-8-17-11-15-9(12)14-10(16-11)13-7-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).