2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C13H15N5O — CID 80573115

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ncn[nH]1
InChIInChI=1S/C13H15N5O/c19-13(15-7-12-16-8-17-18-12)5-9-6-14-11-4-2-1-3-10(9)11/h1-4,8-9,14H,5-7H2,(H,15,19)(H,16,17,18)
InChIKeyKOGONDBTILMVLD-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.02
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 80573115) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID80573115
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ncn[nH]1
InChIInChI=1S/C13H15N5O/c19-13(15-7-12-16-8-17-18-12)5-9-6-14-11-4-2-1-3-10(9)11/h1-4,8-9,14H,5-7H2,(H,15,19)(H,16,17,18)
InChIKeyKOGONDBTILMVLD-UHFFFAOYSA-N
XLogP1.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 80573115) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CC1CNc2ccccc21)NCc1ncn[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is KOGONDBTILMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(15-7-12-16-8-17-18-12)5-9-6-14-11-4-2-1-3-10(9)11/h1-4,8-9,14H,5-7H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 80573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).