3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole

C11H19N3 — CID 176773833

IUPAC3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C2CC2)n1C(C)C
InChIInChI=1S/C11H19N3/c1-7(2)10-12-13-11(9-5-6-9)14(10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyVDJYQQDUOGCFBS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.86
Rot. Bonds3

About 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole

3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 176773833) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID176773833
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C2CC2)n1C(C)C
InChIInChI=1S/C11H19N3/c1-7(2)10-12-13-11(9-5-6-9)14(10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyVDJYQQDUOGCFBS-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole (CID 176773833) is 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1nnc(C2CC2)n1C(C)C.
What is the InChIKey of 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is VDJYQQDUOGCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)10-12-13-11(9-5-6-9)14(10)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole?
3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 176773833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).