7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C20H18N6O2 — CID 135832119

About 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135832119) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135832119
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)COC3)n2nnnc2N1
• InChI: InChI=1S/C20H18N6O2/c1-12-17(19(27)22-16-5-3-2-4-6-16)18(26-20(21-12)23-24-25-26)13-7-8-14-10-28-11-15(14)9-13/h2-9,18H,10-11H2,1H3,(H,22,27)(H,21,23,25)
• InChIKey: ZVTQSIDJPBPLKO-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135832119) is 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)COC3)n2nnnc2N1.

What is the InChIKey of 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is ZVTQSIDJPBPLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-17(19(27)22-16-5-3-2-4-6-16)18(26-20(21-12)23-24-25-26)13-7-8-14-10-28-11-15(14)9-13/h2-9,18H,10-11H2,1H3,(H,22,27)(H,21,23,25).

What are the key properties of 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-dihydro-2-benzofuran-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135832119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).