3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole

C10H17N3 — CID 89349393

IUPAC3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole
SMILESCCc1nnc(C2CC2)n1C(C)C
InChIInChI=1S/C10H17N3/c1-4-9-11-12-10(8-5-6-8)13(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyMYICYZBBGYLIAV-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.30
Rot. Bonds3

About 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole

3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole (PubChem CID 89349393) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole
PubChem CID89349393
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole
SMILESCCc1nnc(C2CC2)n1C(C)C
InChIInChI=1S/C10H17N3/c1-4-9-11-12-10(8-5-6-8)13(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyMYICYZBBGYLIAV-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole (CID 89349393) is 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole is CCc1nnc(C2CC2)n1C(C)C.
What is the InChIKey of 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole?
The InChIKey is MYICYZBBGYLIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9-11-12-10(8-5-6-8)13(9)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole?
3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 89349393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).