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

C11H12N6OS — CID 2792775

IUPAC5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2sccc2C)n2nnnc2N1
InChIInChI=1S/C11H12N6OS/c1-5-3-4-19-9(5)8-7(10(12)18)6(2)13-11-14-15-16-17(8)11/h3-4,8H,1-2H3,(H2,12,18)(H,13,14,16)
InChIKeyKKRVJOACZZQXLN-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.82
Rot. Bonds2

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

5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792775) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792775
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2sccc2C)n2nnnc2N1
InChIInChI=1S/C11H12N6OS/c1-5-3-4-19-9(5)8-7(10(12)18)6(2)13-11-14-15-16-17(8)11/h3-4,8H,1-2H3,(H2,12,18)(H,13,14,16)
InChIKeyKKRVJOACZZQXLN-UHFFFAOYSA-N
XLogP0.82
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792775) is 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2sccc2C)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KKRVJOACZZQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-5-3-4-19-9(5)8-7(10(12)18)6(2)13-11-14-15-16-17(8)11/h3-4,8H,1-2H3,(H2,12,18)(H,13,14,16).
What are the key properties of 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).