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

C12H15N5O — CID 64517287

IUPAC2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CNc1ccccc1
InChIInChI=1S/C12H15N5O/c1-17(8-11-14-9-15-16-11)12(18)7-13-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15,16)
InChIKeyBVFYAHKYGRRKNK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.88
Rot. Bonds5

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

2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64517287) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64517287
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CNc1ccccc1
InChIInChI=1S/C12H15N5O/c1-17(8-11-14-9-15-16-11)12(18)7-13-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15,16)
InChIKeyBVFYAHKYGRRKNK-UHFFFAOYSA-N
XLogP0.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490
1-methyl-3-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508876
2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-(2-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512642
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64517287) is 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is BVFYAHKYGRRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(8-11-14-9-15-16-11)12(18)7-13-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15,16).
What are the key properties of 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64517287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).