5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine

C9H10N4O — CID 54004273

IUPAC5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCOc1cc(C)nc2ncnn12
InChIInChI=1S/C9H10N4O/c1-3-4-14-8-5-7(2)12-9-10-6-11-13(8)9/h3,5-6H,1,4H2,2H3
InChIKeyKNSWWQOXYYWLCC-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.00
Rot. Bonds3

About 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 54004273) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID54004273
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCOc1cc(C)nc2ncnn12
InChIInChI=1S/C9H10N4O/c1-3-4-14-8-5-7(2)12-9-10-6-11-13(8)9/h3,5-6H,1,4H2,2H3
InChIKeyKNSWWQOXYYWLCC-UHFFFAOYSA-N
XLogP1.00
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 54004273) is 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine is C=CCOc1cc(C)nc2ncnn12.
What is the InChIKey of 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KNSWWQOXYYWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-3-4-14-8-5-7(2)12-9-10-6-11-13(8)9/h3,5-6H,1,4H2,2H3.
What are the key properties of 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 190.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 54004273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).