5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine

C8H11N5 — CID 160742485

IUPAC5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine
SMILESC=CCN1C(C)=CCn2nnnc21
InChIInChI=1S/C8H11N5/c1-3-5-12-7(2)4-6-13-8(12)9-10-11-13/h3-4H,1,5-6H2,2H3
InChIKeyDISBIPIRPUZIQH-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.58
Rot. Bonds2

About 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine

5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine (PubChem CID 160742485) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine
PubChem CID160742485
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine
SMILESC=CCN1C(C)=CCn2nnnc21
InChIInChI=1S/C8H11N5/c1-3-5-12-7(2)4-6-13-8(12)9-10-11-13/h3-4H,1,5-6H2,2H3
InChIKeyDISBIPIRPUZIQH-UHFFFAOYSA-N
XLogP0.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine (CID 160742485) is 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine is C=CCN1C(C)=CCn2nnnc21.
What is the InChIKey of 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine?
The InChIKey is DISBIPIRPUZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-5-12-7(2)4-6-13-8(12)9-10-11-13/h3-4H,1,5-6H2,2H3.
What are the key properties of 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine?
5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine has a molecular weight of 177.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-2-enyl-7H-tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 160742485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).