N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

C15H21N5O — CID 66194141

IUPACN-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CNC(C)C)nn2)cc1
InChIInChI=1S/C15H21N5O/c1-11(2)16-8-14-9-20(19-18-14)10-15(21)17-13-6-4-12(3)5-7-13/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,21)
InChIKeySGUFRBLJJYIAAT-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.72
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66194141) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
PubChem CID66194141
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CNC(C)C)nn2)cc1
InChIInChI=1S/C15H21N5O/c1-11(2)16-8-14-9-20(19-18-14)10-15(21)17-13-6-4-12(3)5-7-13/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,21)
InChIKeySGUFRBLJJYIAAT-UHFFFAOYSA-N
XLogP1.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
CID 66194155
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (CID 66194141) is N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(CNC(C)C)nn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is SGUFRBLJJYIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)16-8-14-9-20(19-18-14)10-15(21)17-13-6-4-12(3)5-7-13/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,21).
What are the key properties of N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66194141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).