1-propa-1,2-dienyl-1,2,4-triazole

C5H5N3 — CID 642207

IUPAC1-propa-1,2-dienyl-1,2,4-triazole
SMILESC=C=Cn1cncn1
InChIInChI=1S/C5H5N3/c1-2-3-8-5-6-4-7-8/h3-5H,1H2
InChIKeyLYVPLECEAMLNMT-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.53
Rot. Bonds1

About 1-propa-1,2-dienyl-1,2,4-triazole

1-propa-1,2-dienyl-1,2,4-triazole (PubChem CID 642207) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 1-propa-1,2-dienyl-1,2,4-triazole.

Molecular Properties

Compound Name1-propa-1,2-dienyl-1,2,4-triazole
PubChem CID642207
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name1-propa-1,2-dienyl-1,2,4-triazole
SMILESC=C=Cn1cncn1
InChIInChI=1S/C5H5N3/c1-2-3-8-5-6-4-7-8/h3-5H,1H2
InChIKeyLYVPLECEAMLNMT-UHFFFAOYSA-N
XLogP0.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienyl-1,2,4-triazole?
The IUPAC name of 1-propa-1,2-dienyl-1,2,4-triazole (CID 642207) is 1-propa-1,2-dienyl-1,2,4-triazole.
What is the SMILES notation for 1-propa-1,2-dienyl-1,2,4-triazole?
The canonical SMILES for 1-propa-1,2-dienyl-1,2,4-triazole is C=C=Cn1cncn1.
What is the InChIKey of 1-propa-1,2-dienyl-1,2,4-triazole?
The InChIKey is LYVPLECEAMLNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-3-8-5-6-4-7-8/h3-5H,1H2.
What are the key properties of 1-propa-1,2-dienyl-1,2,4-triazole?
1-propa-1,2-dienyl-1,2,4-triazole has a molecular weight of 107.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienyl-1,2,4-triazole is sourced from PubChem (CID 642207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).