N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C15H21N5 — CID 62095975

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCN2C)c1nncn1C
InChIInChI=1S/C15H21N5/c1-11(15-18-17-10-20(15)3)16-9-12-4-5-14-13(8-12)6-7-19(14)2/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyRGLCDGSCQGIMGD-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62095975) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62095975
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCN2C)c1nncn1C
InChIInChI=1S/C15H21N5/c1-11(15-18-17-10-20(15)3)16-9-12-4-5-14-13(8-12)6-7-19(14)2/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyRGLCDGSCQGIMGD-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 62095975) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCc1ccc2c(c1)CCN2C)c1nncn1C.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is RGLCDGSCQGIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(15-18-17-10-20(15)3)16-9-12-4-5-14-13(8-12)6-7-19(14)2/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 271.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62095975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).