2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine

C15H22N4 — CID 65261578

IUPAC2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCc1nnc(C(C)(C)C(C)(C)N)n1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-11-17-18-13(14(2,3)15(4,5)16)19(11)12-9-7-6-8-10-12/h6-10H,16H2,1-5H3
InChIKeyXFTSKNXVAOMCKE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.59
Rot. Bonds3

About 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine

2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 65261578) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID65261578
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCc1nnc(C(C)(C)C(C)(C)N)n1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-11-17-18-13(14(2,3)15(4,5)16)19(11)12-9-7-6-8-10-12/h6-10H,16H2,1-5H3
InChIKeyXFTSKNXVAOMCKE-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine (CID 65261578) is 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine is Cc1nnc(C(C)(C)C(C)(C)N)n1-c1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is XFTSKNXVAOMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-17-18-13(14(2,3)15(4,5)16)19(11)12-9-7-6-8-10-12/h6-10H,16H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine?
2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 65261578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).