methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

C11H11N5O2S — CID 3244389

IUPACmethyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1cccs1
InChIInChI=1S/C11H11N5O2S/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15)
InChIKeyDHAAPHKIEVZEHO-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.20
Rot. Bonds2

About methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 3244389) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID3244389
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Namemethyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1cccs1
InChIInChI=1S/C11H11N5O2S/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15)
InChIKeyDHAAPHKIEVZEHO-UHFFFAOYSA-N
XLogP1.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 3244389) is methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nnnn2C1c1cccs1.
What is the InChIKey of methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is DHAAPHKIEVZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15).
What are the key properties of methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 277.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3244389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).