5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C6H9N5 — CID 136646385

IUPAC5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)n2nnnc2N1
InChIInChI=1S/C6H9N5/c1-4-3-5(2)11-6(7-4)8-9-10-11/h3,5H,1-2H3,(H,7,8,10)
InChIKeyOWWXZNCGJQOBQD-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.56
Rot. Bonds

About 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136646385) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136646385
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)n2nnnc2N1
InChIInChI=1S/C6H9N5/c1-4-3-5(2)11-6(7-4)8-9-10-11/h3,5H,1-2H3,(H,7,8,10)
InChIKeyOWWXZNCGJQOBQD-UHFFFAOYSA-N
XLogP0.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136646385) is 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CC1=CC(C)n2nnnc2N1.
What is the InChIKey of 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OWWXZNCGJQOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-4-3-5(2)11-6(7-4)8-9-10-11/h3,5H,1-2H3,(H,7,8,10).
What are the key properties of 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 151.17 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).