2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride

C14H20ClN5O — CID 119298771

IUPAC2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
SMILESCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C(C(C)C)N.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8(2)12(15)14(20)17-11-6-4-5-10(7-11)13-16-9(3)18-19-13;/h4-8,12H,15H2,1-3H3,(H,17,20)(H,16,18,19);1H
InChIKeyQQBZJYKUVXODTD-UHFFFAOYSA-N
MW309.79 g/mol
LogP—
Rot. Bonds4

About 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride

2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride (PubChem CID 119298771) has the molecular formula C14H20ClN5O and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
PubChem CID119298771
Molecular FormulaC14H20ClN5O
Molecular Weight309.79 g/mol
Exact Mass309.14
IUPAC Name2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
SMILESCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C(C(C)C)N.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8(2)12(15)14(20)17-11-6-4-5-10(7-11)13-16-9(3)18-19-13;/h4-8,12H,15H2,1-3H3,(H,17,20)(H,16,18,19);1H
InChIKeyQQBZJYKUVXODTD-UHFFFAOYSA-N
XLogP—
TPSA96.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity336

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride (CID 119298771) is 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride is CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C(C(C)C)N.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride?
The InChIKey is QQBZJYKUVXODTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-8(2)12(15)14(20)17-11-6-4-5-10(7-11)13-16-9(3)18-19-13;/h4-8,12H,15H2,1-3H3,(H,17,20)(H,16,18,19);1H.
What are the key properties of 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride?
2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of not available, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119298771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).