4-[(E)-prop-1-enyl]-2H-triazole

C5H7N3 — CID 57261126

IUPAC4-[(E)-prop-1-enyl]-2H-triazole
SMILESC/C=C/c1cn[nH]n1
InChIInChI=1S/C5H7N3/c1-2-3-5-4-6-8-7-5/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyYCIRSCROEZYOOM-NSCUHMNNSA-N
MW109.13 g/mol
LogP0.84
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-2H-triazole

4-[(E)-prop-1-enyl]-2H-triazole (PubChem CID 57261126) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-2H-triazole
PubChem CID57261126
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-[(E)-prop-1-enyl]-2H-triazole
SMILESC/C=C/c1cn[nH]n1
InChIInChI=1S/C5H7N3/c1-2-3-5-4-6-8-7-5/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyYCIRSCROEZYOOM-NSCUHMNNSA-N
XLogP0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-2H-triazole?
The IUPAC name of 4-[(E)-prop-1-enyl]-2H-triazole (CID 57261126) is 4-[(E)-prop-1-enyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-2H-triazole?
The canonical SMILES for 4-[(E)-prop-1-enyl]-2H-triazole is C/C=C/c1cn[nH]n1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-2H-triazole?
The InChIKey is YCIRSCROEZYOOM-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-3-5-4-6-8-7-5/h2-4H,1H3,(H,6,7,8)/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-2H-triazole?
4-[(E)-prop-1-enyl]-2H-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-2H-triazole is sourced from PubChem (CID 57261126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).