4-cyclopropyl-2H-triazole

C5H7N3 — CID 22401764

IUPAC4-cyclopropyl-2H-triazole
SMILESc1n[nH]nc1C1CC1
InChIInChI=1S/C5H7N3/c1-2-4(1)5-3-6-8-7-5/h3-4H,1-2H2,(H,6,7,8)
InChIKeyLOSIUHLAYNGOTD-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.68
Rot. Bonds1

About 4-cyclopropyl-2H-triazole

4-cyclopropyl-2H-triazole (PubChem CID 22401764) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-cyclopropyl-2H-triazole.

Molecular Properties

Compound Name4-cyclopropyl-2H-triazole
PubChem CID22401764
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-cyclopropyl-2H-triazole
SMILESc1n[nH]nc1C1CC1
InChIInChI=1S/C5H7N3/c1-2-4(1)5-3-6-8-7-5/h3-4H,1-2H2,(H,6,7,8)
InChIKeyLOSIUHLAYNGOTD-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2H-triazole?
The IUPAC name of 4-cyclopropyl-2H-triazole (CID 22401764) is 4-cyclopropyl-2H-triazole.
What is the SMILES notation for 4-cyclopropyl-2H-triazole?
The canonical SMILES for 4-cyclopropyl-2H-triazole is c1n[nH]nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2H-triazole?
The InChIKey is LOSIUHLAYNGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-4(1)5-3-6-8-7-5/h3-4H,1-2H2,(H,6,7,8).
What are the key properties of 4-cyclopropyl-2H-triazole?
4-cyclopropyl-2H-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2H-triazole is sourced from PubChem (CID 22401764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).