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

C11H23N3 — CID 69382161

IUPAC5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole
SMILESCCCCC1NN=CN1CC(C)(C)C
InChIInChI=1S/C11H23N3/c1-5-6-7-10-13-12-9-14(10)8-11(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBWQRHKBSVKZMFZ-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.40
Rot. Bonds4

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

5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole (PubChem CID 69382161) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole
PubChem CID69382161
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole
SMILESCCCCC1NN=CN1CC(C)(C)C
InChIInChI=1S/C11H23N3/c1-5-6-7-10-13-12-9-14(10)8-11(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBWQRHKBSVKZMFZ-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole (CID 69382161) is 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole is CCCCC1NN=CN1CC(C)(C)C.
What is the InChIKey of 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole?
The InChIKey is BWQRHKBSVKZMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-6-7-10-13-12-9-14(10)8-11(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole?
5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole has a molecular weight of 197.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2,2-dimethylpropyl)-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).