5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one

C10H7N5O — CID 2077879

IUPAC5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nn[nH]n12
InChIInChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6H,(H,11,12,14)
InChIKeyHJLNESVPZLLCIP-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.48
Rot. Bonds1

About 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one

5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2077879) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
PubChem CID2077879
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nn[nH]n12
InChIInChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6H,(H,11,12,14)
InChIKeyHJLNESVPZLLCIP-UHFFFAOYSA-N
XLogP0.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2033843
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-amino-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 681947
2-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 757923
2-benzyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 935434
5-methyl-6-[(E)-3-phenyl-2-propenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1474418
2-[(2-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1943193
5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 2967534

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one (CID 2077879) is 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nn[nH]n12.
What is the InChIKey of 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HJLNESVPZLLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6H,(H,11,12,14).
What are the key properties of 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one?
5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 213.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-tetrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2077879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).