2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide

C16H23N5O — CID 82202074

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)n1cc(CN)nn1
InChIInChI=1S/C16H23N5O/c1-4-12-7-6-8-13(5-2)15(12)18-16(22)11(3)21-10-14(9-17)19-20-21/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,22)
InChIKeyDMWNQUHOOIQNPA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide (PubChem CID 82202074) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
PubChem CID82202074
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)n1cc(CN)nn1
InChIInChI=1S/C16H23N5O/c1-4-12-7-6-8-13(5-2)15(12)18-16(22)11(3)21-10-14(9-17)19-20-21/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,22)
InChIKeyDMWNQUHOOIQNPA-UHFFFAOYSA-N
XLogP2.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-amino-3-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735197
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-[1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]triazol-4-yl]acetic acid
CID 107461608
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735018
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide (CID 82202074) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)C(C)n1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is DMWNQUHOOIQNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-12-7-6-8-13(5-2)15(12)18-16(22)11(3)21-10-14(9-17)19-20-21/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,22).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 82202074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).