2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole

C18H23N5O — CID 138011677

IUPAC2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole
SMILESCOCCn1c(-c2cc3c(C)cccc3[nH]2)nnc1N1CCCC1
InChIInChI=1S/C18H23N5O/c1-13-6-5-7-15-14(13)12-16(19-15)17-20-21-18(22-8-3-4-9-22)23(17)10-11-24-2/h5-7,12,19H,3-4,8-11H2,1-2H3
InChIKeyHUNDXMAEXINIES-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole

2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole (PubChem CID 138011677) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole
PubChem CID138011677
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole
SMILESCOCCn1c(-c2cc3c(C)cccc3[nH]2)nnc1N1CCCC1
InChIInChI=1S/C18H23N5O/c1-13-6-5-7-15-14(13)12-16(19-15)17-20-21-18(22-8-3-4-9-22)23(17)10-11-24-2/h5-7,12,19H,3-4,8-11H2,1-2H3
InChIKeyHUNDXMAEXINIES-UHFFFAOYSA-N
XLogP2.98
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole?
The IUPAC name of 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole (CID 138011677) is 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole?
The canonical SMILES for 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole is COCCn1c(-c2cc3c(C)cccc3[nH]2)nnc1N1CCCC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole?
The InChIKey is HUNDXMAEXINIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-6-5-7-15-14(13)12-16(19-15)17-20-21-18(22-8-3-4-9-22)23(17)10-11-24-2/h5-7,12,19H,3-4,8-11H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole?
2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole has a molecular weight of 325.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]-4-methyl-1H-indole is sourced from PubChem (CID 138011677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).