2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride

C13H18ClN5O2 — CID 119780393

IUPAC2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(-c2ncn[nH]2)cc1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-20-7-6-14-8-12(19)17-11-4-2-10(3-5-11)13-15-9-16-18-13;/h2-5,9,14H,6-8H2,1H3,(H,17,19)(H,15,16,18);1H
InChIKeyGWHAOSIZWGNROP-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.07
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride (PubChem CID 119780393) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride
PubChem CID119780393
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(-c2ncn[nH]2)cc1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-20-7-6-14-8-12(19)17-11-4-2-10(3-5-11)13-15-9-16-18-13;/h2-5,9,14H,6-8H2,1H3,(H,17,19)(H,15,16,18);1H
InChIKeyGWHAOSIZWGNROP-UHFFFAOYSA-N
XLogP1.07
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 119827132
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CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
CID 119759369
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride (CID 119780393) is 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(-c2ncn[nH]2)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride?
The InChIKey is GWHAOSIZWGNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2.ClH/c1-20-7-6-14-8-12(19)17-11-4-2-10(3-5-11)13-15-9-16-18-13;/h2-5,9,14H,6-8H2,1H3,(H,17,19)(H,15,16,18);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119780393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).