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

C14H20N4 — CID 61360765

IUPAC3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(C(N)CC(C)C)n1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-10(2)9-13(15)14-17-16-11(3)18(14)12-7-5-4-6-8-12/h4-8,10,13H,9,15H2,1-3H3
InChIKeyMBBMGBJTCIIMHD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds4

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

3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 61360765) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID61360765
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(C(N)CC(C)C)n1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-10(2)9-13(15)14-17-16-11(3)18(14)12-7-5-4-6-8-12/h4-8,10,13H,9,15H2,1-3H3
InChIKeyMBBMGBJTCIIMHD-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine (CID 61360765) is 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine is Cc1nnc(C(N)CC(C)C)n1-c1ccccc1.
What is the InChIKey of 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is MBBMGBJTCIIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)9-13(15)14-17-16-11(3)18(14)12-7-5-4-6-8-12/h4-8,10,13H,9,15H2,1-3H3.
What are the key properties of 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 61360765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).