N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C19H18N6O2 — CID 20789102

IUPACN-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2/c1-27-8-7-20-19(26)14-4-2-3-12(9-14)17-15-10-13(18-21-11-22-25-18)5-6-16(15)23-24-17/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25)
InChIKeyRHFAVZIQVWRAKB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.39
Rot. Bonds6

About N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789102) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789102
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2/c1-27-8-7-20-19(26)14-4-2-3-12(9-14)17-15-10-13(18-21-11-22-25-18)5-6-16(15)23-24-17/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25)
InChIKeyRHFAVZIQVWRAKB-UHFFFAOYSA-N
XLogP2.39
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789102) is N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is COCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is RHFAVZIQVWRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-8-7-20-19(26)14-4-2-3-12(9-14)17-15-10-13(18-21-11-22-25-18)5-6-16(15)23-24-17/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25).
What are the key properties of N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).