7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H13N5S — CID 4182034

IUPAC7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1C=C(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H13N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-9,13H,1H3,(H,16,17,19)
InChIKeyHMXOVHOMVOHFMH-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.10
Rot. Bonds2

About 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4182034) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4182034
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1C=C(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H13N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-9,13H,1H3,(H,16,17,19)
InChIKeyHMXOVHOMVOHFMH-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4182034) is 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccccc1C1C=C(c2cccs2)Nc2nnnn21.
What is the InChIKey of 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is HMXOVHOMVOHFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-9,13H,1H3,(H,16,17,19).
What are the key properties of 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 295.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4182034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).