2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C10H12ClN3O2 — CID 106794790

IUPAC2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESC#CC(C)Oc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H12ClN3O2/c1-5-7(4)16-10-13-8(11)12-9(14-10)15-6(2)3/h1,6-7H,2-4H3
InChIKeyYVXPBXFAKORJGU-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.71
Rot. Bonds4

About 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 106794790) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID106794790
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESC#CC(C)Oc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H12ClN3O2/c1-5-7(4)16-10-13-8(11)12-9(14-10)15-6(2)3/h1,6-7H,2-4H3
InChIKeyYVXPBXFAKORJGU-UHFFFAOYSA-N
XLogP1.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 106794790) is 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine is C#CC(C)Oc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is YVXPBXFAKORJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-5-7(4)16-10-13-8(11)12-9(14-10)15-6(2)3/h1,6-7H,2-4H3.
What are the key properties of 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 241.68 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 106794790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).