2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide

C18H25N5O — CID 131896401

IUPAC2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2C2(C)CCN(C)C2)c1C
InChIInChI=1S/C18H25N5O/c1-12-6-5-7-14(13(12)2)23-17(18(3)8-9-22(4)11-18)20-16(21-23)10-15(19)24/h5-7H,8-11H2,1-4H3,(H2,19,24)
InChIKeyPRZXJQBXXPQZEE-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131896401) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131896401
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2C2(C)CCN(C)C2)c1C
InChIInChI=1S/C18H25N5O/c1-12-6-5-7-14(13(12)2)23-17(18(3)8-9-22(4)11-18)20-16(21-23)10-15(19)24/h5-7H,8-11H2,1-4H3,(H2,19,24)
InChIKeyPRZXJQBXXPQZEE-UHFFFAOYSA-N
XLogP1.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide
CID 74238135
2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 72888240
2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 97446199
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
[1-(2,3-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478674
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016911
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
5-chloro-1-(2,3-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 82362469
2-amino-3-[1-(2,3-dimethylphenyl)triazol-4-yl]propanoic acid
CID 116734767

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide (CID 131896401) is 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(N)=O)nc2C2(C)CCN(C)C2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is PRZXJQBXXPQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-6-5-7-14(13(12)2)23-17(18(3)8-9-22(4)11-18)20-16(21-23)10-15(19)24/h5-7H,8-11H2,1-4H3,(H2,19,24).
What are the key properties of 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131896401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).