7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C14H13N5S — CID 3651625

IUPAC7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C14H13N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-8,11-12H,9H2,(H,15,16,18)
InChIKeyDCXGULRWRXSWMI-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.88
Rot. Bonds2

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

7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3651625) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID3651625
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C14H13N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-8,11-12H,9H2,(H,15,16,18)
InChIKeyDCXGULRWRXSWMI-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 3651625) is 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is c1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1.
What is the InChIKey of 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DCXGULRWRXSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-8,11-12H,9H2,(H,15,16,18).
What are the key properties of 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 283.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3651625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).