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

C14H17N5 — CID 10106412

IUPACN,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-n3cncn3)cc12
InChIInChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyGKKAQRFMUGUZQS-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.85
Rot. Bonds4

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

N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10106412) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
PubChem CID10106412
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-n3cncn3)cc12
InChIInChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyGKKAQRFMUGUZQS-UHFFFAOYSA-N
XLogP1.85
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine (CID 10106412) is N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(-n3cncn3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is GKKAQRFMUGUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10106412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).