N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide

C12H13IN4O3 — CID 9403988

IUPACN-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cnc(I)n2)c1
InChIInChI=1S/C12H13IN4O3/c1-19-8-3-4-10(20-2)9(5-8)15-11(18)6-17-7-14-12(13)16-17/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyRLUJVOROVDPICL-UHFFFAOYSA-N
MW388.17 g/mol
LogP1.54
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide (PubChem CID 9403988) has the molecular formula C12H13IN4O3 and a molecular weight of 388.17 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
PubChem CID9403988
Molecular FormulaC12H13IN4O3
Molecular Weight388.17 g/mol
Exact Mass388.00
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cnc(I)n2)c1
InChIInChI=1S/C12H13IN4O3/c1-19-8-3-4-10(20-2)9(5-8)15-11(18)6-17-7-14-12(13)16-17/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyRLUJVOROVDPICL-UHFFFAOYSA-N
XLogP1.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[3-methoxy-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide
CID 117800438
1-(2,5-dimethoxyphenyl)-1H-tetrazole
CID 665562
N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 894568
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2477122
N-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 741074
N-(2,5-dimethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2969500
N-(2,5-dimethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5298020
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 698772
N-(2-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 741072
{[4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}amine hydrochloride
CID 56715993
N-(4-chloro-2,5-dimethoxyphenyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 749664
N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 1601531

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide (CID 9403988) is N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2cnc(I)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is RLUJVOROVDPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O3/c1-19-8-3-4-10(20-2)9(5-8)15-11(18)6-17-7-14-12(13)16-17/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 388.17 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9403988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).