2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C12H10ClN5O — CID 71704022

IUPAC2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)Nc1ncn[nH]1
InChIInChI=1S/C12H10ClN5O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)16-12-14-7-15-17-12/h1-5,7H,6H2,(H2,14,15,16,17,19)
InChIKeyKNHOOAGROJYVIX-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 71704022) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID71704022
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)Nc1ncn[nH]1
InChIInChI=1S/C12H10ClN5O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)16-12-14-7-15-17-12/h1-5,7H,6H2,(H2,14,15,16,17,19)
InChIKeyKNHOOAGROJYVIX-UHFFFAOYSA-N
XLogP2.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 71704022) is 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cn1ccc2c(Cl)cccc21)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KNHOOAGROJYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)16-12-14-7-15-17-12/h1-5,7H,6H2,(H2,14,15,16,17,19).
What are the key properties of 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 275.70 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 71704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).