5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole

C9H19N3 — CID 137384590

IUPAC5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole
SMILESCCC(C)C1=CN(C(C)C)NN1
InChIInChI=1S/C9H19N3/c1-5-8(4)9-6-12(7(2)3)11-10-9/h6-8,10-11H,5H2,1-4H3
InChIKeyWUBCZYNOPVUGJL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds3

About 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole

5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole (PubChem CID 137384590) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole
PubChem CID137384590
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole
SMILESCCC(C)C1=CN(C(C)C)NN1
InChIInChI=1S/C9H19N3/c1-5-8(4)9-6-12(7(2)3)11-10-9/h6-8,10-11H,5H2,1-4H3
InChIKeyWUBCZYNOPVUGJL-UHFFFAOYSA-N
XLogP1.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole?
The IUPAC name of 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole (CID 137384590) is 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole.
What is the SMILES notation for 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole?
The canonical SMILES for 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole is CCC(C)C1=CN(C(C)C)NN1.
What is the InChIKey of 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole?
The InChIKey is WUBCZYNOPVUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-8(4)9-6-12(7(2)3)11-10-9/h6-8,10-11H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole?
5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole has a molecular weight of 169.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-propan-2-yl-1,2-dihydrotriazole is sourced from PubChem (CID 137384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).