2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide

C12H15N5O — CID 61140363

IUPAC2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnnc1CNC(=O)Cc1ccccc1N
InChIInChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-12(18)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3,(H,14,18)
InChIKeyNFJVXNLKNIBLRI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.26
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 61140363) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID61140363
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnnc1CNC(=O)Cc1ccccc1N
InChIInChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-12(18)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3,(H,14,18)
InChIKeyNFJVXNLKNIBLRI-UHFFFAOYSA-N
XLogP0.26
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 61140554
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62693867
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
4-amino-N-[2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 61003098
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 77000863
3-(2-aminophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide;dihydrochloride
CID 120612519
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 105068860

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 61140363) is 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cn1cnnc1CNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is NFJVXNLKNIBLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-12(18)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3,(H,14,18).
What are the key properties of 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 61140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).