2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide

C15H20N4O2 — CID 82211353

IUPAC2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nnc(CO)c1-c1ccccc1C
InChIInChI=1S/C15H20N4O2/c1-3-8-16-14(21)9-19-15(13(10-20)17-18-19)12-7-5-4-6-11(12)2/h4-7,20H,3,8-10H2,1-2H3,(H,16,21)
InChIKeyZFRLGOCIIDMQKC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide

2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide (PubChem CID 82211353) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide
PubChem CID82211353
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nnc(CO)c1-c1ccccc1C
InChIInChI=1S/C15H20N4O2/c1-3-8-16-14(21)9-19-15(13(10-20)17-18-19)12-7-5-4-6-11(12)2/h4-7,20H,3,8-10H2,1-2H3,(H,16,21)
InChIKeyZFRLGOCIIDMQKC-UHFFFAOYSA-N
XLogP1.27
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
CID 94946279
2-[5-(3,4-difluorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
CID 94946287
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-propylacetamide
CID 82211365
2-[5-(3,4-dimethylphenyl)-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211263
2-[1-[2-(butylamino)-2-oxoethyl]-5-phenyltriazol-4-yl]acetic acid
CID 94942803
[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol
CID 82195695
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
5-(3-methoxyphenyl)-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
CID 94946264
[5-(2-bromophenyl)-1-butyltriazol-4-yl]methanol
CID 94943947
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide (CID 82211353) is 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1nnc(CO)c1-c1ccccc1C.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide?
The InChIKey is ZFRLGOCIIDMQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-8-16-14(21)9-19-15(13(10-20)17-18-19)12-7-5-4-6-11(12)2/h4-7,20H,3,8-10H2,1-2H3,(H,16,21).
What are the key properties of 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide?
2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 82211353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).