7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one

C5H5N5O — CID 135454562

IUPAC7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc(=O)[nH]c2nnnn12
InChIInChI=1S/C5H5N5O/c1-3-2-4(11)6-5-7-8-9-10(3)5/h2H,1H3,(H,6,7,9,11)
InChIKeyBMRMJTAZIFBZKA-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.88
Rot. Bonds

About 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one

7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135454562) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
PubChem CID135454562
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc(=O)[nH]c2nnnn12
InChIInChI=1S/C5H5N5O/c1-3-2-4(11)6-5-7-8-9-10(3)5/h2H,1H3,(H,6,7,9,11)
InChIKeyBMRMJTAZIFBZKA-UHFFFAOYSA-N
XLogP-0.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one (CID 135454562) is 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one is Cc1cc(=O)[nH]c2nnnn12.
What is the InChIKey of 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BMRMJTAZIFBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-3-2-4(11)6-5-7-8-9-10(3)5/h2H,1H3,(H,6,7,9,11).
What are the key properties of 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 151.13 g/mol, XLogP of -0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4H-tetrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135454562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).