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

C14H18N4 — CID 61377243

IUPAC5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCCCn1c(C)nnc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4/c1-3-8-18-10(2)16-17-14(18)12-4-5-13-11(9-12)6-7-15-13/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyLEUTXPPEYQKQBQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.63
Rot. Bonds3

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

5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 61377243) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID61377243
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCCCn1c(C)nnc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4/c1-3-8-18-10(2)16-17-14(18)12-4-5-13-11(9-12)6-7-15-13/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyLEUTXPPEYQKQBQ-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 61377243) is 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is CCCn1c(C)nnc1-c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is LEUTXPPEYQKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-8-18-10(2)16-17-14(18)12-4-5-13-11(9-12)6-7-15-13/h4-5,9,15H,3,6-8H2,1-2H3.
What are the key properties of 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 242.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 61377243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).