6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C5H9N5 — CID 136840303

IUPAC6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC1CNc2nnnn2C1
InChIInChI=1S/C5H9N5/c1-4-2-6-5-7-8-9-10(5)3-4/h4H,2-3H2,1H3,(H,6,7,9)
InChIKeyPYOZPQCFZNNYAR-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.27
Rot. Bonds

About 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840303) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840303
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC1CNc2nnnn2C1
InChIInChI=1S/C5H9N5/c1-4-2-6-5-7-8-9-10(5)3-4/h4H,2-3H2,1H3,(H,6,7,9)
InChIKeyPYOZPQCFZNNYAR-UHFFFAOYSA-N
XLogP-0.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840303) is 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is CC1CNc2nnnn2C1.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is PYOZPQCFZNNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-4-2-6-5-7-8-9-10(5)3-4/h4H,2-3H2,1H3,(H,6,7,9).
What are the key properties of 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 139.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).