2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine

C11H22N4 — CID 65226550

IUPAC2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nc(C(C)(C)C)nn1C
InChIInChI=1S/C11H22N4/c1-6-8(7-12)9-13-10(11(2,3)4)14-15(9)5/h8H,6-7,12H2,1-5H3
InChIKeyZBWUWLVKPDNTJX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.56
Rot. Bonds3

About 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine

2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 65226550) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID65226550
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nc(C(C)(C)C)nn1C
InChIInChI=1S/C11H22N4/c1-6-8(7-12)9-13-10(11(2,3)4)14-15(9)5/h8H,6-7,12H2,1-5H3
InChIKeyZBWUWLVKPDNTJX-UHFFFAOYSA-N
XLogP1.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 65226550) is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine is CCC(CN)c1nc(C(C)(C)C)nn1C.
What is the InChIKey of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is ZBWUWLVKPDNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-8(7-12)9-13-10(11(2,3)4)14-15(9)5/h8H,6-7,12H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 65226550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).