2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine

C9H10ClN3O2 — CID 62870652

IUPAC2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine
SMILESC#CCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H10ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1H,4-6H2,2H3
InChIKeyRYZRDKNTMUUFQP-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.33
Rot. Bonds5

About 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine

2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine (PubChem CID 62870652) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine
PubChem CID62870652
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine
SMILESC#CCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H10ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1H,4-6H2,2H3
InChIKeyRYZRDKNTMUUFQP-UHFFFAOYSA-N
XLogP1.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Stk047125
CID 2827992
2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2-Chloro-4,6-di-(2-methoxyethoxy)-1,3,5-triazine
CID 85702124
2-Azido-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 102034398
2,4,6-Tris(propynyloxy)-s-triazine
CID 135389592
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2-Chloro-4,6-bis(propan-2-yloxy)-1,3,5-triazine
CID 35650
2-Chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 55124471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine (CID 62870652) is 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine is C#CCOc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine?
The InChIKey is RYZRDKNTMUUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1H,4-6H2,2H3.
What are the key properties of 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine?
2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine has a molecular weight of 227.65 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine is sourced from PubChem (CID 62870652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).