N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide

C20H20N6O — CID 46982211

IUPACN-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4C)ccc32)n1
InChIInChI=1S/C20H20N6O/c1-3-26-22-12-19(24-26)23-20(27)13-25-18-9-8-15(10-16(18)11-21-25)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,23,24,27)
InChIKeyHCBNYHJOMBKOQP-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.26
Rot. Bonds5

About N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide

N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide (PubChem CID 46982211) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
PubChem CID46982211
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4C)ccc32)n1
InChIInChI=1S/C20H20N6O/c1-3-26-22-12-19(24-26)23-20(27)13-25-18-9-8-15(10-16(18)11-21-25)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,23,24,27)
InChIKeyHCBNYHJOMBKOQP-UHFFFAOYSA-N
XLogP3.26
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide?
The IUPAC name of N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide (CID 46982211) is N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide is CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4C)ccc32)n1.
What is the InChIKey of N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide?
The InChIKey is HCBNYHJOMBKOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-3-26-22-12-19(24-26)23-20(27)13-25-18-9-8-15(10-16(18)11-21-25)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide?
N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46982211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).