2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine

C10H14ClN3O2 — CID 62869271

IUPAC2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C10H14ClN3O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h3H,1,4-7H2,2H3
InChIKeyCNKOETZHWNFWES-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.27
Rot. Bonds7

About 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine

2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine (PubChem CID 62869271) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
PubChem CID62869271
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C10H14ClN3O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h3H,1,4-7H2,2H3
InChIKeyCNKOETZHWNFWES-UHFFFAOYSA-N
XLogP2.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.27
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'}

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Related Compounds

2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2-But-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 163878982
2-[(E)-but-1-enoxy]-4,6-dichloro-1,3,5-triazine
CID 20321388
2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
CID 21225420
2,4-Diethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 21489715
2,4-Bis(but-3-enoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 21872119
2-Ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 22628792
2,4,6-Tris(prop-1-enoxy)-1,3,5-triazine
CID 54557391
2-Chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62858632
2-But-3-enoxy-4,6-dichloro-1,3,5-triazine
CID 62859572

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine (CID 62869271) is 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine is C=CCCOc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine?
The InChIKey is CNKOETZHWNFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine?
2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine has a molecular weight of 243.69 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 62869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).