1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine

C16H19N5 — CID 63001888

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCC(NCc1cccc2[nH]ccc12)c1nnc2n1CCC2
InChIInChI=1S/C16H19N5/c1-11(16-20-19-15-6-3-9-21(15)16)18-10-12-4-2-5-14-13(12)7-8-17-14/h2,4-5,7-8,11,17-18H,3,6,9-10H2,1H3
InChIKeySVSKEVZWRIYZCI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds4

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine (PubChem CID 63001888) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
PubChem CID63001888
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCC(NCc1cccc2[nH]ccc12)c1nnc2n1CCC2
InChIInChI=1S/C16H19N5/c1-11(16-20-19-15-6-3-9-21(15)16)18-10-12-4-2-5-14-13(12)7-8-17-14/h2,4-5,7-8,11,17-18H,3,6,9-10H2,1H3
InChIKeySVSKEVZWRIYZCI-UHFFFAOYSA-N
XLogP2.56
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43433211
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 80649684
2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol
CID 43748147
N-[(2,6-difluorophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748063
N-[(2-bromo-4-methylphenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 115556626
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43433228
N-(pyridin-3-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43426023
(1S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
CID 97079311
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708065

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine (CID 63001888) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine is CC(NCc1cccc2[nH]ccc12)c1nnc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The InChIKey is SVSKEVZWRIYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(16-20-19-15-6-3-9-21(15)16)18-10-12-4-2-5-14-13(12)7-8-17-14/h2,4-5,7-8,11,17-18H,3,6,9-10H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine is sourced from PubChem (CID 63001888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).