N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine

C15H19N5 — CID 152743278

IUPACN,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine
SMILESCN(C)CCC1=CN=C2C=CC(Cn3cncn3)=CC12
InChIInChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3
InChIKeyHTMVKJZAUPCBNY-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.68
Rot. Bonds5

About N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine (PubChem CID 152743278) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine
PubChem CID152743278
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine
SMILESCN(C)CCC1=CN=C2C=CC(Cn3cncn3)=CC12
InChIInChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3
InChIKeyHTMVKJZAUPCBNY-UHFFFAOYSA-N
XLogP1.68
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine (CID 152743278) is N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine is CN(C)CCC1=CN=C2C=CC(Cn3cncn3)=CC12.
What is the InChIKey of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine?
The InChIKey is HTMVKJZAUPCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine is sourced from PubChem (CID 152743278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).