1-methyl-3-prop-2-enyl-2H-triazole

C6H11N3 — CID 89253288

IUPAC1-methyl-3-prop-2-enyl-2H-triazole
SMILESC=CCN1C=CN(C)N1
InChIInChI=1S/C6H11N3/c1-3-4-9-6-5-8(2)7-9/h3,5-7H,1,4H2,2H3
InChIKeyFOZUCEYBBGVXAQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.31
Rot. Bonds2

About 1-methyl-3-prop-2-enyl-2H-triazole

1-methyl-3-prop-2-enyl-2H-triazole (PubChem CID 89253288) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enyl-2H-triazole.

Molecular Properties

Compound Name1-methyl-3-prop-2-enyl-2H-triazole
PubChem CID89253288
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-methyl-3-prop-2-enyl-2H-triazole
SMILESC=CCN1C=CN(C)N1
InChIInChI=1S/C6H11N3/c1-3-4-9-6-5-8(2)7-9/h3,5-7H,1,4H2,2H3
InChIKeyFOZUCEYBBGVXAQ-UHFFFAOYSA-N
XLogP0.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methyl-3-prop-2-enyl-2H-triazole?
The IUPAC name of 1-methyl-3-prop-2-enyl-2H-triazole (CID 89253288) is 1-methyl-3-prop-2-enyl-2H-triazole.
What is the SMILES notation for 1-methyl-3-prop-2-enyl-2H-triazole?
The canonical SMILES for 1-methyl-3-prop-2-enyl-2H-triazole is C=CCN1C=CN(C)N1.
What is the InChIKey of 1-methyl-3-prop-2-enyl-2H-triazole?
The InChIKey is FOZUCEYBBGVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-9-6-5-8(2)7-9/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enyl-2H-triazole?
1-methyl-3-prop-2-enyl-2H-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enyl-2H-triazole is sourced from PubChem (CID 89253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).