methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

C16H15N5O5 — CID 3241364

IUPACmethyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C(C)=O)C(c2ccc(C(=O)OC)cc2)n2nnnc2N1
InChIInChI=1S/C16H15N5O5/c1-8(22)11-12(15(24)26-3)17-16-18-19-20-21(16)13(11)9-4-6-10(7-5-9)14(23)25-2/h4-7,13H,1-3H3,(H,17,18,20)
InChIKeyRZENNCIJOYPOFO-UHFFFAOYSA-N
MW357.33 g/mol
LogP0.49
Rot. Bonds4

About methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 3241364) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID3241364
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Namemethyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C(C)=O)C(c2ccc(C(=O)OC)cc2)n2nnnc2N1
InChIInChI=1S/C16H15N5O5/c1-8(22)11-12(15(24)26-3)17-16-18-19-20-21(16)13(11)9-4-6-10(7-5-9)14(23)25-2/h4-7,13H,1-3H3,(H,17,18,20)
InChIKeyRZENNCIJOYPOFO-UHFFFAOYSA-N
XLogP0.49
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (CID 3241364) is methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)C1=C(C(C)=O)C(c2ccc(C(=O)OC)cc2)n2nnnc2N1.
What is the InChIKey of methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is RZENNCIJOYPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-8(22)11-12(15(24)26-3)17-16-18-19-20-21(16)13(11)9-4-6-10(7-5-9)14(23)25-2/h4-7,13H,1-3H3,(H,17,18,20).
What are the key properties of methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 357.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyl-7-(4-methoxycarbonylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 3241364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).