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

C14H19N5O — CID 65224910

IUPAC2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H19N5O/c1-3-10(8-15)14(20)17-12-7-5-4-6-11(12)13-18-16-9-19(13)2/h4-7,9-10H,3,8,15H2,1-2H3,(H,17,20)
InChIKeyQHESCISBBBQGQM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds5

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

2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 65224910) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID65224910
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H19N5O/c1-3-10(8-15)14(20)17-12-7-5-4-6-11(12)13-18-16-9-19(13)2/h4-7,9-10H,3,8,15H2,1-2H3,(H,17,20)
InChIKeyQHESCISBBBQGQM-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-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 79473385
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441578
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63007220

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (CID 65224910) is 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is CCC(CN)C(=O)Nc1ccccc1-c1nncn1C.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is QHESCISBBBQGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-10(8-15)14(20)17-12-7-5-4-6-11(12)13-18-16-9-19(13)2/h4-7,9-10H,3,8,15H2,1-2H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
2-(aminomethyl)-N-[2-(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 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 65224910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).