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

C6H9N3 — CID 135170568

IUPAC1-cyclopropyl-5-methyl-1,2,4-triazole
SMILESCc1ncnn1C1CC1
InChIInChI=1S/C6H9N3/c1-5-7-4-8-9(5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyZTUPRUGMJJRJRX-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.92
Rot. Bonds1

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

1-cyclopropyl-5-methyl-1,2,4-triazole (PubChem CID 135170568) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-1,2,4-triazole
PubChem CID135170568
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-cyclopropyl-5-methyl-1,2,4-triazole
SMILESCc1ncnn1C1CC1
InChIInChI=1S/C6H9N3/c1-5-7-4-8-9(5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyZTUPRUGMJJRJRX-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-1,2,4-triazole?
The IUPAC name of 1-cyclopropyl-5-methyl-1,2,4-triazole (CID 135170568) is 1-cyclopropyl-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-cyclopropyl-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-cyclopropyl-5-methyl-1,2,4-triazole is Cc1ncnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-1,2,4-triazole?
The InChIKey is ZTUPRUGMJJRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-7-4-8-9(5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-1,2,4-triazole?
1-cyclopropyl-5-methyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-1,2,4-triazole is sourced from PubChem (CID 135170568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).