2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H20N4O — CID 92863533

IUPAC2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cn1nc2ccccn2c1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H20N4O/c1-20(16-10-6-8-14-7-2-3-9-15(14)16)13-22-18(23)21-12-5-4-11-17(21)19-22/h2-5,7,9,11-12,16H,6,8,10,13H2,1H3/t16-/m1/s1
InChIKeyLKUGPXYJTNESMM-MRXNPFEDSA-N
MW308.38 g/mol
LogP2.46
Rot. Bonds3

About 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 92863533) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID92863533
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cn1nc2ccccn2c1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H20N4O/c1-20(16-10-6-8-14-7-2-3-9-15(14)16)13-22-18(23)21-12-5-4-11-17(21)19-22/h2-5,7,9,11-12,16H,6,8,10,13H2,1H3/t16-/m1/s1
InChIKeyLKUGPXYJTNESMM-MRXNPFEDSA-N
XLogP2.46
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 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

2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92849825
3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione
CID 42943995
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
4-benzyl-5-cyclopropyl-2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-triazole-3-thione
CID 42937061
2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47089137
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
6,10-dimethyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42890891
4-cyclopropyl-2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 42937067

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 92863533) is 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(Cn1nc2ccccn2c1=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is LKUGPXYJTNESMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O/c1-20(16-10-6-8-14-7-2-3-9-15(14)16)13-22-18(23)21-12-5-4-11-17(21)19-22/h2-5,7,9,11-12,16H,6,8,10,13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 308.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 92863533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).