2-methyl-5-prop-2-enyltetrazole

C5H8N4 — CID 54140282

IUPAC2-methyl-5-prop-2-enyltetrazole
SMILESC=CCc1nnn(C)n1
InChIInChI=1S/C5H8N4/c1-3-4-5-6-8-9(2)7-5/h3H,1,4H2,2H3
InChIKeyABPAINKNOGXFAM-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.06
Rot. Bonds2

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

2-methyl-5-prop-2-enyltetrazole (PubChem CID 54140282) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enyltetrazole.

Molecular Properties

Compound Name2-methyl-5-prop-2-enyltetrazole
PubChem CID54140282
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-methyl-5-prop-2-enyltetrazole
SMILESC=CCc1nnn(C)n1
InChIInChI=1S/C5H8N4/c1-3-4-5-6-8-9(2)7-5/h3H,1,4H2,2H3
InChIKeyABPAINKNOGXFAM-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
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 2-methyl-5-prop-2-enyltetrazole?
The IUPAC name of 2-methyl-5-prop-2-enyltetrazole (CID 54140282) is 2-methyl-5-prop-2-enyltetrazole.
What is the SMILES notation for 2-methyl-5-prop-2-enyltetrazole?
The canonical SMILES for 2-methyl-5-prop-2-enyltetrazole is C=CCc1nnn(C)n1.
What is the InChIKey of 2-methyl-5-prop-2-enyltetrazole?
The InChIKey is ABPAINKNOGXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-4-5-6-8-9(2)7-5/h3H,1,4H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enyltetrazole?
2-methyl-5-prop-2-enyltetrazole has a molecular weight of 124.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enyltetrazole is sourced from PubChem (CID 54140282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).