4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole

C8H13N3 — CID 58913351

IUPAC4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole
SMILESCC(C)C1CC1n1cnnc1
InChIInChI=1S/C8H13N3/c1-6(2)7-3-8(7)11-4-9-10-5-11/h4-8H,3H2,1-2H3
InChIKeyQGQSVJMCWUXELJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds2

About 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole

4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole (PubChem CID 58913351) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole
PubChem CID58913351
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole
SMILESCC(C)C1CC1n1cnnc1
InChIInChI=1S/C8H13N3/c1-6(2)7-3-8(7)11-4-9-10-5-11/h4-8H,3H2,1-2H3
InChIKeyQGQSVJMCWUXELJ-UHFFFAOYSA-N
XLogP1.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole (CID 58913351) is 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole is CC(C)C1CC1n1cnnc1.
What is the InChIKey of 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole?
The InChIKey is QGQSVJMCWUXELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)7-3-8(7)11-4-9-10-5-11/h4-8H,3H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole?
4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 58913351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).