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

C14H19N5O — CID 80542568

IUPAC4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H19N5O/c1-10(6-7-15)14(20)17-12-5-3-4-11(8-12)13-18-16-9-19(13)2/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20)
InChIKeyOAYMHPLUPCFREH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds5

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

4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 80542568) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID80542568
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H19N5O/c1-10(6-7-15)14(20)17-12-5-3-4-11(8-12)13-18-16-9-19(13)2/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20)
InChIKeyOAYMHPLUPCFREH-UHFFFAOYSA-N
XLogP1.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686
4-(aminomethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 120925376
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (CID 80542568) is 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is CC(CCN)C(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is OAYMHPLUPCFREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(6-7-15)14(20)17-12-5-3-4-11(8-12)13-18-16-9-19(13)2/h3-5,8-10H,6-7,15H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 80542568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).