2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine

C11H18ClN3O2 — CID 62857809

IUPAC2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
SMILESCCCCCCCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-4-5-6-7-8-17-11-14-9(12)13-10(15-11)16-2/h3-8H2,1-2H3
InChIKeyAKBMIWVZBKLFSF-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.88
Rot. Bonds8

About 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine

2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine (PubChem CID 62857809) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
PubChem CID62857809
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
SMILESCCCCCCCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-4-5-6-7-8-17-11-14-9(12)13-10(15-11)16-2/h3-8H2,1-2H3
InChIKeyAKBMIWVZBKLFSF-UHFFFAOYSA-N
XLogP2.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine 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

2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-chloro-4-hexoxy-6-phenanthren-9-yl-1,3,5-triazine
CID 164768282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine (CID 62857809) is 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine is CCCCCCCOc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine?
The InChIKey is AKBMIWVZBKLFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-4-5-6-7-8-17-11-14-9(12)13-10(15-11)16-2/h3-8H2,1-2H3.
What are the key properties of 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine?
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine has a molecular weight of 259.74 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62857809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).