2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol

C15H20N4O2 — CID 43748147

IUPAC2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNC(C)c2nnc3n2CCC3)c1O
InChIInChI=1S/C15H20N4O2/c1-10(15-18-17-13-7-4-8-19(13)15)16-9-11-5-3-6-12(21-2)14(11)20/h3,5-6,10,16,20H,4,7-9H2,1-2H3
InChIKeyKDGNEHJIDJVULD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds5

About 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol

2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol (PubChem CID 43748147) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol
PubChem CID43748147
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNC(C)c2nnc3n2CCC3)c1O
InChIInChI=1S/C15H20N4O2/c1-10(15-18-17-13-7-4-8-19(13)15)16-9-11-5-3-6-12(21-2)14(11)20/h3,5-6,10,16,20H,4,7-9H2,1-2H3
InChIKeyKDGNEHJIDJVULD-UHFFFAOYSA-N
XLogP1.79
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol 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
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43433228
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 63001888
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
N-[(2,6-difluorophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748063
(1S)-N-[[2-chloro-6-[(3-methoxyphenyl)methoxy]phenyl]methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 97261638
N-[(2-fluoro-5-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 154759294
N-[1-[7-[(2-hydroxy-3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxypropanamide
CID 45181068
N-[(2-bromo-4-methylphenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 115556626
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97024838

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol (CID 43748147) is 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol is COc1cccc(CNC(C)c2nnc3n2CCC3)c1O.
What is the InChIKey of 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol?
The InChIKey is KDGNEHJIDJVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(15-18-17-13-7-4-8-19(13)15)16-9-11-5-3-6-12(21-2)14(11)20/h3,5-6,10,16,20H,4,7-9H2,1-2H3.
What are the key properties of 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol?
2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol has a molecular weight of 288.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43748147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).