2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine

C15H17ClN4O — CID 155190803

IUPAC2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(C3CC3)c2)COC1
InChIInChI=1S/C15H17ClN4O/c1-20-9-17-19-14(20)6-15(7-21-8-15)11-4-12(10-2-3-10)18-13(16)5-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyXASVFCRNEGGYIQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine

2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine (PubChem CID 155190803) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
PubChem CID155190803
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(C3CC3)c2)COC1
InChIInChI=1S/C15H17ClN4O/c1-20-9-17-19-14(20)6-15(7-21-8-15)11-4-12(10-2-3-10)18-13(16)5-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyXASVFCRNEGGYIQ-UHFFFAOYSA-N
XLogP2.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 171752686
2-Chloro-6-cyclopropyl-4-[cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 172234443
2-Chloro-6-cyclopropyl-4-[3,3-difluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 172234444
2-Chloro-6-cyclopropyl-4-[1,2,2,2-tetrafluoro-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine
CID 172234491
2-chloro-6-cyclopropyl-4-[(1R)-1,2,2,2-tetrafluoro-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine
CID 172610120
2-chloro-6-cyclopropyl-4-[(S)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 172610123
2-chloro-6-cyclopropyl-4-[(1S)-1,2,2,2-tetrafluoro-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine
CID 172610140
2-Chloro-4-[cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyridine
CID 172610141
2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 172610165
2-Chloro-4-[cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyridine
CID 172610171
2-Chloro-6-cyclopropyl-4-[3-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 176148635
2-Chloro-6-cyclopropyl-4-[[3-(difluoromethoxy)cyclobutyl]-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 177951456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine?
The IUPAC name of 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine (CID 155190803) is 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine?
The canonical SMILES for 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine is Cn1cnnc1CC1(c2cc(Cl)nc(C3CC3)c2)COC1.
What is the InChIKey of 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine?
The InChIKey is XASVFCRNEGGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20-9-17-19-14(20)6-15(7-21-8-15)11-4-12(10-2-3-10)18-13(16)5-11/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine?
2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine has a molecular weight of 304.78 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine is sourced from PubChem (CID 155190803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).