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

C19H16N6O3 — CID 3652959

IUPAC7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)n2nnnc2N1
InChIInChI=1S/C19H16N6O3/c1-11-16(18(26)21-13-5-3-2-4-6-13)17(25-19(20-11)22-23-24-25)12-7-8-14-15(9-12)28-10-27-14/h2-9,17H,10H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyOXTFBFJEPYICER-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.33
Rot. Bonds3

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

7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3652959) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3652959
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)n2nnnc2N1
InChIInChI=1S/C19H16N6O3/c1-11-16(18(26)21-13-5-3-2-4-6-13)17(25-19(20-11)22-23-24-25)12-7-8-14-15(9-12)28-10-27-14/h2-9,17H,10H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyOXTFBFJEPYICER-UHFFFAOYSA-N
XLogP2.33
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3652959) is 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)n2nnnc2N1.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OXTFBFJEPYICER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11-16(18(26)21-13-5-3-2-4-6-13)17(25-19(20-11)22-23-24-25)12-7-8-14-15(9-12)28-10-27-14/h2-9,17H,10H2,1H3,(H,21,26)(H,20,22,24).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3652959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).