N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

C13H15N5 — CID 102911084

IUPACN-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1n[nH]c(CCNCc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C13H15N5/c1-2-11-3-6-15-12(11)7-10(1)8-14-5-4-13-16-9-17-18-13/h1-3,6-7,9,14-15H,4-5,8H2,(H,16,17,18)
InChIKeyZKIBJPOJEGZYEU-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.62
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 102911084) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID102911084
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1n[nH]c(CCNCc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C13H15N5/c1-2-11-3-6-15-12(11)7-10(1)8-14-5-4-13-16-9-17-18-13/h1-3,6-7,9,14-15H,4-5,8H2,(H,16,17,18)
InChIKeyZKIBJPOJEGZYEU-UHFFFAOYSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546166
N-[(4-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545961
N-[(4-bromo-3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 81002911
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546146
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-[(3-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545977
3-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 64545789
N-[(3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547939
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546351
N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
CID 102909982
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 102911084) is N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is c1n[nH]c(CCNCc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is ZKIBJPOJEGZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-11-3-6-15-12(11)7-10(1)8-14-5-4-13-16-9-17-18-13/h1-3,6-7,9,14-15H,4-5,8H2,(H,16,17,18).
What are the key properties of N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 241.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 102911084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).