6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine

C15H20ClN5OS — CID 169179395

IUPAC6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
SMILESCSCCNc1cc(C2(Cc3nncn3C)COC2)cc(Cl)n1
InChIInChI=1S/C15H20ClN5OS/c1-21-10-18-20-14(21)7-15(8-22-9-15)11-5-12(16)19-13(6-11)17-3-4-23-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyURJJRLKFKMSNOP-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.15
Rot. Bonds7

About 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine

6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine (PubChem CID 169179395) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
PubChem CID169179395
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC Name6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
SMILESCSCCNc1cc(C2(Cc3nncn3C)COC2)cc(Cl)n1
InChIInChI=1S/C15H20ClN5OS/c1-21-10-18-20-14(21)7-15(8-22-9-15)11-5-12(16)19-13(6-11)17-3-4-23-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyURJJRLKFKMSNOP-UHFFFAOYSA-N
XLogP2.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine 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

tert-butyl N-[3-methyl-5-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]carbamate
CID 167186950
3-[[3-(3-methoxy-5-nitrophenyl)oxetan-3-yl]methyl]-4-methyl-1,2,4-triazole
CID 171753147
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide
CID 169179205
2-cyclopropyl-N-[3-cyclopropyl-5-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139350136
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
2-[6-(ethylamino)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-3H-isoindol-1-one
CID 155200503
3-[[6-[7-methanehydrazonoyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-2-pyridinyl]amino]propanenitrile
CID 169179508
2-[6-(2-azidoethylamino)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-2-pyridinyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 169179217
(1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
CID 171503297
2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole
CID 166557351
2-[3-[2-chloro-6-(2-cyanoethylamino)-4-pyridinyl]oxetan-3-yl]-N-methanimidoyl-N-methylethanimidamide
CID 169179377

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine (CID 169179395) is 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine is CSCCNc1cc(C2(Cc3nncn3C)COC2)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The InChIKey is URJJRLKFKMSNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OS/c1-21-10-18-20-14(21)7-15(8-22-9-15)11-5-12(16)19-13(6-11)17-3-4-23-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine has a molecular weight of 353.88 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine is sourced from PubChem (CID 169179395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).