4-ethyl-2H-triazole

C4H7N3 — CID 14794987

IUPAC4-ethyl-2H-triazole
SMILESCCc1cn[nH]n1
InChIInChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeySRZBHUBTUHPBDP-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.37
Rot. Bonds1

About 4-ethyl-2H-triazole

4-ethyl-2H-triazole (PubChem CID 14794987) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-ethyl-2H-triazole.

Molecular Properties

Compound Name4-ethyl-2H-triazole
PubChem CID14794987
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name4-ethyl-2H-triazole
SMILESCCc1cn[nH]n1
InChIInChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeySRZBHUBTUHPBDP-UHFFFAOYSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2H-triazole?
The IUPAC name of 4-ethyl-2H-triazole (CID 14794987) is 4-ethyl-2H-triazole.
What is the SMILES notation for 4-ethyl-2H-triazole?
The canonical SMILES for 4-ethyl-2H-triazole is CCc1cn[nH]n1.
What is the InChIKey of 4-ethyl-2H-triazole?
The InChIKey is SRZBHUBTUHPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7).
What are the key properties of 4-ethyl-2H-triazole?
4-ethyl-2H-triazole has a molecular weight of 97.12 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2H-triazole is sourced from PubChem (CID 14794987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).