3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole

C9H15N3 — CID 58124514

IUPAC3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C9H15N3/c1-6(2)5-8-10-9(12-11-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyOCUXEYDULSLUGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.88
Rot. Bonds3

About 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole

3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole (PubChem CID 58124514) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole
PubChem CID58124514
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C9H15N3/c1-6(2)5-8-10-9(12-11-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyOCUXEYDULSLUGD-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole (CID 58124514) is 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole is CC(C)Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The InChIKey is OCUXEYDULSLUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)5-8-10-9(12-11-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58124514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).