7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C14H12ClN5S — CID 4615701

IUPAC7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1CC(c2cccs2)Nc2nnnn21
InChIInChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12-8-11(13-6-3-7-21-13)16-14-17-18-19-20(12)14/h1-7,11-12H,8H2,(H,16,17,19)
InChIKeyQRBVEGDPUGNFJT-UHFFFAOYSA-N
MW317.81 g/mol
LogP3.53
Rot. Bonds2

About 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4615701) has the molecular formula C14H12ClN5S and a molecular weight of 317.81 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID4615701
Molecular FormulaC14H12ClN5S
Molecular Weight317.81 g/mol
Exact Mass317.05
IUPAC Name7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1CC(c2cccs2)Nc2nnnn21
InChIInChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12-8-11(13-6-3-7-21-13)16-14-17-18-19-20(12)14/h1-7,11-12H,8H2,(H,16,17,19)
InChIKeyQRBVEGDPUGNFJT-UHFFFAOYSA-N
XLogP3.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 4615701) is 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Clc1ccccc1C1CC(c2cccs2)Nc2nnnn21.
What is the InChIKey of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is QRBVEGDPUGNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12-8-11(13-6-3-7-21-13)16-14-17-18-19-20(12)14/h1-7,11-12H,8H2,(H,16,17,19).
What are the key properties of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 317.81 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4615701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).