4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole

C10H21N3 — CID 69381400

IUPAC4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1CC(C)(C)C
InChIInChI=1S/C10H21N3/c1-5-6-9-12-11-8-13(9)7-10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyADHAMMHGKBBLNL-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.01
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole

4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole (PubChem CID 69381400) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole
PubChem CID69381400
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1CC(C)(C)C
InChIInChI=1S/C10H21N3/c1-5-6-9-12-11-8-13(9)7-10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyADHAMMHGKBBLNL-UHFFFAOYSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole (CID 69381400) is 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole is CCCC1NN=CN1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is ADHAMMHGKBBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-6-9-12-11-8-13(9)7-10(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole?
4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 183.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-propyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69381400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).