2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H24N4O — CID 135634994

IUPAC2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2n(n1)C(c1ccc(C(C)C)cc1)CC(C)N2
InChIInChI=1S/C17H24N4O/c1-11(2)13-5-7-14(8-6-13)15-9-12(3)18-17-19-16(10-22-4)20-21(15)17/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyNSNUWWFSSDVLLZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.34
Rot. Bonds4

About 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135634994) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135634994
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2n(n1)C(c1ccc(C(C)C)cc1)CC(C)N2
InChIInChI=1S/C17H24N4O/c1-11(2)13-5-7-14(8-6-13)15-9-12(3)18-17-19-16(10-22-4)20-21(15)17/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyNSNUWWFSSDVLLZ-UHFFFAOYSA-N
XLogP3.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135634994) is 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2n(n1)C(c1ccc(C(C)C)cc1)CC(C)N2.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NSNUWWFSSDVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)13-5-7-14(8-6-13)15-9-12(3)18-17-19-16(10-22-4)20-21(15)17/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135634994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).