1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide

C17H21N5O2 — CID 71709068

IUPAC1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-11(2)15-18-17(21-20-15)19-16(23)13-10-22(8-9-24-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyZOGJABNLNIZLRJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide

1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide (PubChem CID 71709068) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
PubChem CID71709068
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-11(2)15-18-17(21-20-15)19-16(23)13-10-22(8-9-24-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyZOGJABNLNIZLRJ-UHFFFAOYSA-N
XLogP2.78
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide (CID 71709068) is 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide is COCCn1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The InChIKey is ZOGJABNLNIZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)15-18-17(21-20-15)19-16(23)13-10-22(8-9-24-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21,23).
What are the key properties of 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide is sourced from PubChem (CID 71709068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).