1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone

C18H18N4O2 — CID 159975228

IUPAC1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)C3CC3)cc3nc(C)nn23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-19-17-10-14(9-16(23)12-3-4-12)20-18(22(17)21-11)13-5-7-15(24-2)8-6-13/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyOFBKMINRZBTEOT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.63
Rot. Bonds5

About 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone

1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone (PubChem CID 159975228) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone
PubChem CID159975228
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)C3CC3)cc3nc(C)nn23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-19-17-10-14(9-16(23)12-3-4-12)20-18(22(17)21-11)13-5-7-15(24-2)8-6-13/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyOFBKMINRZBTEOT-UHFFFAOYSA-N
XLogP2.63
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone (CID 159975228) is 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone is COc1ccc(-c2nc(CC(=O)C3CC3)cc3nc(C)nn23)cc1.
What is the InChIKey of 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone?
The InChIKey is OFBKMINRZBTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-19-17-10-14(9-16(23)12-3-4-12)20-18(22(17)21-11)13-5-7-15(24-2)8-6-13/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone?
1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 159975228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).