1-prop-2-enyltriazole

C5H7N3 — CID 12661201

IUPAC1-prop-2-enyltriazole
SMILESC=CCn1ccnn1
InChIInChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-3,5H,1,4H2
InChIKeyMTTRUFMFGDNOGO-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.46
Rot. Bonds2

About 1-prop-2-enyltriazole

1-prop-2-enyltriazole (PubChem CID 12661201) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-prop-2-enyltriazole.

Molecular Properties

Compound Name1-prop-2-enyltriazole
PubChem CID12661201
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-prop-2-enyltriazole
SMILESC=CCn1ccnn1
InChIInChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-3,5H,1,4H2
InChIKeyMTTRUFMFGDNOGO-UHFFFAOYSA-N
XLogP0.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-1,2,3-triazole
CID 140119
1-ethenyl-1H-1,2,3-triazole
CID 11309474
1-butyl-1H-1,2,3-triazole
CID 11446322
3-(1H-1,2,3-Triazol-1-yl)propanenitrile
CID 15568554
1H-1,2,3-Triazole-1-acetonitrile
CID 18002315
1-(2-bromoethyl)-1H-1,2,3-triazole
CID 25139710
1-(3-Iodoprop-2-ynyl)triazole
CID 497112
1-(2,3,3-Triiodoallyl)triazole
CID 497114
1-Amino-3-(2-propenyl)-1,2,3-triazolium bromide
CID 11310245
1-Propyl-1H-1,2,3-triazole
CID 21161643
1-Ethyl-1H-1,2,3-triazole
CID 10887837
1H-1,2,3-Triazole, 1-(1-methylethyl)-
CID 12015095

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyltriazole?
The IUPAC name of 1-prop-2-enyltriazole (CID 12661201) is 1-prop-2-enyltriazole.
What is the SMILES notation for 1-prop-2-enyltriazole?
The canonical SMILES for 1-prop-2-enyltriazole is C=CCn1ccnn1.
What is the InChIKey of 1-prop-2-enyltriazole?
The InChIKey is MTTRUFMFGDNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-3,5H,1,4H2.
What are the key properties of 1-prop-2-enyltriazole?
1-prop-2-enyltriazole has a molecular weight of 109.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyltriazole is sourced from PubChem (CID 12661201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).