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

C14H11N5O — CID 4150914

IUPAC7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1c1ccco1
InChIInChI=1S/C14H11N5O/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18)
InChIKeyPTOHSDHWNBSZLT-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.32
Rot. Bonds2

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

7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4150914) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4150914
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1c1ccco1
InChIInChI=1S/C14H11N5O/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18)
InChIKeyPTOHSDHWNBSZLT-UHFFFAOYSA-N
XLogP2.32
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4150914) is 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is C1=C(c2ccccc2)Nc2nnnn2C1c1ccco1.
What is the InChIKey of 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is PTOHSDHWNBSZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18).
What are the key properties of 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 265.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).