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

C20H18N6O4 — CID 2948184

IUPAC7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18N6O4/c1-11-17(19(27)22-13-5-3-4-6-14(13)28-2)18(26-20(21-11)23-24-25-26)12-7-8-15-16(9-12)30-10-29-15/h3-9,18H,10H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyTZZDTWNOFOIPPS-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.34
Rot. Bonds4

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

7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2948184) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2948184
Molecular FormulaC20H18N6O4
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18N6O4/c1-11-17(19(27)22-13-5-3-4-6-14(13)28-2)18(26-20(21-11)23-24-25-26)12-7-8-15-16(9-12)30-10-29-15/h3-9,18H,10H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyTZZDTWNOFOIPPS-UHFFFAOYSA-N
XLogP2.34
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2948184) is 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccc2c(c1)OCO2.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is TZZDTWNOFOIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c1-11-17(19(27)22-13-5-3-4-6-14(13)28-2)18(26-20(21-11)23-24-25-26)12-7-8-15-16(9-12)30-10-29-15/h3-9,18H,10H2,1-2H3,(H,22,27)(H,21,23,25).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2948184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).