2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide

C12H15N5O2 — CID 112522674

IUPAC2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C12H15N5O2/c1-2-19-10-6-4-3-5-9(10)14-12(18)8-17-7-11(13)15-16-17/h3-7H,2,8,13H2,1H3,(H,14,18)
InChIKeyJTLDIKKDPFHAHW-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.90
Rot. Bonds5

About 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide

2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 112522674) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID112522674
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C12H15N5O2/c1-2-19-10-6-4-3-5-9(10)14-12(18)8-17-7-11(13)15-16-17/h3-7H,2,8,13H2,1H3,(H,14,18)
InChIKeyJTLDIKKDPFHAHW-UHFFFAOYSA-N
XLogP0.90
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20853663
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
CID 115459058
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-[(2-amino-3-pyridinyl)oxy]-N-(2-ethoxyphenyl)acetamide
CID 82055927

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide (CID 112522674) is 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1cc(N)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is JTLDIKKDPFHAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-19-10-6-4-3-5-9(10)14-12(18)8-17-7-11(13)15-16-17/h3-7H,2,8,13H2,1H3,(H,14,18).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide?
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 112522674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).