N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C13H16N4O — CID 64510523

IUPACN-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(C)Cc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)7-13(18)17(2)8-12-14-9-15-16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGGSRTGNNJJWDKX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64510523) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64510523
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(C)Cc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)7-13(18)17(2)8-12-14-9-15-16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGGSRTGNNJJWDKX-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512824
3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510103
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64509906
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64510523) is N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Cc1ccc(CC(=O)N(C)Cc2ncn[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is GGSRTGNNJJWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)7-13(18)17(2)8-12-14-9-15-16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64510523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).