3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole

C10H19N3 — CID 69381551

IUPAC3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-5-6-13-8-11-12-9(13)7-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyFYJGETDWEUQSPX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.28
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole

3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole (PubChem CID 69381551) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole
PubChem CID69381551
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-5-6-13-8-11-12-9(13)7-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyFYJGETDWEUQSPX-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole (CID 69381551) is 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole?
The InChIKey is FYJGETDWEUQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-13-8-11-12-9(13)7-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole?
3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 69381551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).