7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C20H20N6O3 — CID 2791032

IUPAC7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C20H20N6O3/c1-12-17(19(27)22-14-7-5-4-6-8-14)18(26-20(21-12)23-24-25-26)13-9-10-15(28-2)16(11-13)29-3/h4-11,18H,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyITGIUNDXSXBBPR-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.62
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2791032) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2791032
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C20H20N6O3/c1-12-17(19(27)22-14-7-5-4-6-8-14)18(26-20(21-12)23-24-25-26)13-9-10-15(28-2)16(11-13)29-3/h4-11,18H,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyITGIUNDXSXBBPR-UHFFFAOYSA-N
XLogP2.62
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2791032) is 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ITGIUNDXSXBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12-17(19(27)22-14-7-5-4-6-8-14)18(26-20(21-12)23-24-25-26)13-9-10-15(28-2)16(11-13)29-3/h4-11,18H,1-3H3,(H,22,27)(H,21,23,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2791032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).