5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

C13H16N4 — CID 62722122

IUPAC5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCCc1nc(-c2ccc3c(c2)CCN3)n(C)n1
InChIInChI=1S/C13H16N4/c1-3-12-15-13(17(2)16-12)10-4-5-11-9(8-10)6-7-14-11/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyOVGPIPTZAIAICX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.01
Rot. Bonds2

About 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 62722122) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID62722122
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCCc1nc(-c2ccc3c(c2)CCN3)n(C)n1
InChIInChI=1S/C13H16N4/c1-3-12-15-13(17(2)16-12)10-4-5-11-9(8-10)6-7-14-11/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyOVGPIPTZAIAICX-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 62722122) is 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is CCc1nc(-c2ccc3c(c2)CCN3)n(C)n1.
What is the InChIKey of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is OVGPIPTZAIAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-12-15-13(17(2)16-12)10-4-5-11-9(8-10)6-7-14-11/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 228.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 62722122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).