5-methyl-1-prop-2-enyltetrazole

C5H8N4 — CID 18726585

IUPAC5-methyl-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1C
InChIInChI=1S/C5H8N4/c1-3-4-9-5(2)6-7-8-9/h3H,1,4H2,2H3
InChIKeyPYMCSJNGYRQPGS-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.17
Rot. Bonds2

About 5-methyl-1-prop-2-enyltetrazole

5-methyl-1-prop-2-enyltetrazole (PubChem CID 18726585) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-methyl-1-prop-2-enyltetrazole
PubChem CID18726585
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-methyl-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1C
InChIInChI=1S/C5H8N4/c1-3-4-9-5(2)6-7-8-9/h3H,1,4H2,2H3
InChIKeyPYMCSJNGYRQPGS-UHFFFAOYSA-N
XLogP0.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1-prop-2-enyltetrazole?
The IUPAC name of 5-methyl-1-prop-2-enyltetrazole (CID 18726585) is 5-methyl-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-methyl-1-prop-2-enyltetrazole?
The canonical SMILES for 5-methyl-1-prop-2-enyltetrazole is C=CCn1nnnc1C.
What is the InChIKey of 5-methyl-1-prop-2-enyltetrazole?
The InChIKey is PYMCSJNGYRQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-4-9-5(2)6-7-8-9/h3H,1,4H2,2H3.
What are the key properties of 5-methyl-1-prop-2-enyltetrazole?
5-methyl-1-prop-2-enyltetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enyltetrazole is sourced from PubChem (CID 18726585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).