3-cyclopropyl-5-methyl-1H-1,2,4-triazole

C6H9N3 — CID 22614882

IUPAC3-cyclopropyl-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C6H9N3/c1-4-7-6(9-8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,9)
InChIKeyPUAFHIBIEAIFSB-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.99
Rot. Bonds1

About 3-cyclopropyl-5-methyl-1H-1,2,4-triazole

3-cyclopropyl-5-methyl-1H-1,2,4-triazole (PubChem CID 22614882) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-1H-1,2,4-triazole
PubChem CID22614882
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-cyclopropyl-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C6H9N3/c1-4-7-6(9-8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,9)
InChIKeyPUAFHIBIEAIFSB-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-methyl-1H-1,2,4-triazole (CID 22614882) is 3-cyclopropyl-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-methyl-1H-1,2,4-triazole is Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-methyl-1H-1,2,4-triazole?
The InChIKey is PUAFHIBIEAIFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-7-6(9-8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 3-cyclopropyl-5-methyl-1H-1,2,4-triazole?
3-cyclopropyl-5-methyl-1H-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 22614882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).