2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole

C16H19N5 — CID 159977878

IUPAC2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole
SMILESCN1CCC(c2cc3ccc(-n4cnnc4)cc3[nH]2)CC1
InChIInChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-8-13-2-3-14(9-16(13)19-15)21-10-17-18-11-21/h2-3,8-12,19H,4-7H2,1H3
InChIKeyLCTWEKBUOKXYJC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole

2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 159977878) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID159977878
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole
SMILESCN1CCC(c2cc3ccc(-n4cnnc4)cc3[nH]2)CC1
InChIInChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-8-13-2-3-14(9-16(13)19-15)21-10-17-18-11-21/h2-3,8-12,19H,4-7H2,1H3
InChIKeyLCTWEKBUOKXYJC-UHFFFAOYSA-N
XLogP2.56
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole (CID 159977878) is 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole is CN1CCC(c2cc3ccc(-n4cnnc4)cc3[nH]2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is LCTWEKBUOKXYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-8-13-2-3-14(9-16(13)19-15)21-10-17-18-11-21/h2-3,8-12,19H,4-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole?
2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 281.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 159977878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).