4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine

C8H9N5O — CID 10679259

IUPAC4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine
SMILESCOc1cc(C)nc(-n2cncn2)n1
InChIInChI=1S/C8H9N5O/c1-6-3-7(14-2)12-8(11-6)13-5-9-4-10-13/h3-5H,1-2H3
InChIKeyHLVKQBZLEAKKJG-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.37
Rot. Bonds2

About 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine

4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 10679259) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID10679259
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine
SMILESCOc1cc(C)nc(-n2cncn2)n1
InChIInChI=1S/C8H9N5O/c1-6-3-7(14-2)12-8(11-6)13-5-9-4-10-13/h3-5H,1-2H3
InChIKeyHLVKQBZLEAKKJG-UHFFFAOYSA-N
XLogP0.37
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine (CID 10679259) is 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine is COc1cc(C)nc(-n2cncn2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is HLVKQBZLEAKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-6-3-7(14-2)12-8(11-6)13-5-9-4-10-13/h3-5H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine?
4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 191.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 10679259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).