6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one

C6H7N5O2 — CID 135412634

IUPAC6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(O)n2nnnc2[nH]c1=O
InChIInChI=1S/C6H7N5O2/c1-2-3-4(12)7-6-8-9-10-11(6)5(3)13/h13H,2H2,1H3,(H,7,8,10,12)
InChIKeyQVZRFUNVZSJZES-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.92
Rot. Bonds1

About 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one

6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135412634) has the molecular formula C6H7N5O2 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one
PubChem CID135412634
Molecular FormulaC6H7N5O2
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(O)n2nnnc2[nH]c1=O
InChIInChI=1S/C6H7N5O2/c1-2-3-4(12)7-6-8-9-10-11(6)5(3)13/h13H,2H2,1H3,(H,7,8,10,12)
InChIKeyQVZRFUNVZSJZES-UHFFFAOYSA-N
XLogP-0.92
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one (CID 135412634) is 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one is CCc1c(O)n2nnnc2[nH]c1=O.
What is the InChIKey of 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QVZRFUNVZSJZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-2-3-4(12)7-6-8-9-10-11(6)5(3)13/h13H,2H2,1H3,(H,7,8,10,12).
What are the key properties of 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one?
6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 181.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135412634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).