3-cyclopropyl-4-methyl-1,2,4-triazole

C6H9N3 — CID 46318327

IUPAC3-cyclopropyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CC1
InChIInChI=1S/C6H9N3/c1-9-4-7-8-6(9)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyCKCJRMRHECHTNX-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.69
Rot. Bonds1

About 3-cyclopropyl-4-methyl-1,2,4-triazole

3-cyclopropyl-4-methyl-1,2,4-triazole (PubChem CID 46318327) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-1,2,4-triazole
PubChem CID46318327
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-cyclopropyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CC1
InChIInChI=1S/C6H9N3/c1-9-4-7-8-6(9)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyCKCJRMRHECHTNX-UHFFFAOYSA-N
XLogP0.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-4-methyl-1,2,4-triazole (CID 46318327) is 3-cyclopropyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-4-methyl-1,2,4-triazole is Cn1cnnc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methyl-1,2,4-triazole?
The InChIKey is CKCJRMRHECHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-4-7-8-6(9)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-1,2,4-triazole?
3-cyclopropyl-4-methyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 46318327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).