5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H10ClN5O — CID 2953206

IUPAC5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1=CC(c2ccco2)n2nnnc2N1
InChIInChI=1S/C14H10ClN5O/c15-10-5-2-1-4-9(10)11-8-12(13-6-3-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyYIFOLPZXEASCAI-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.98
Rot. Bonds2

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

5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2953206) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2953206
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1=CC(c2ccco2)n2nnnc2N1
InChIInChI=1S/C14H10ClN5O/c15-10-5-2-1-4-9(10)11-8-12(13-6-3-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyYIFOLPZXEASCAI-UHFFFAOYSA-N
XLogP2.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2953206) is 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccccc1C1=CC(c2ccco2)n2nnnc2N1.
What is the InChIKey of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YIFOLPZXEASCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-10-5-2-1-4-9(10)11-8-12(13-6-3-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19).
What are the key properties of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 299.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2953206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).