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

C15H18ClN5O2 — CID 155190623

IUPAC6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(NC3COC3)c2)COC1
InChIInChI=1S/C15H18ClN5O2/c1-21-9-17-20-14(21)4-15(7-23-8-15)10-2-12(16)19-13(3-10)18-11-5-22-6-11/h2-3,9,11H,4-8H2,1H3,(H,18,19)
InChIKeyDVMCLISPGBTQMA-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.18
Rot. Bonds5

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

6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine (PubChem CID 155190623) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine
PubChem CID155190623
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(NC3COC3)c2)COC1
InChIInChI=1S/C15H18ClN5O2/c1-21-9-17-20-14(21)4-15(7-23-8-15)10-2-12(16)19-13(3-10)18-11-5-22-6-11/h2-3,9,11H,4-8H2,1H3,(H,18,19)
InChIKeyDVMCLISPGBTQMA-UHFFFAOYSA-N
XLogP1.18
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[[6-Chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
CID 164869153
1-[[6-Chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
CID 175947766
6-chloro-N-ethyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 155190811
2,6-Dichloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
CID 155190822
2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
CID 155709996
2-chloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
CID 155710003
6-chloro-N-ethyl-4-[6-(4-methyl-1,2,4-triazol-3-yl)-2-oxaspiro[3.3]heptan-6-yl]pyridin-2-amine
CID 168262725
2,6-Dichloro-4-[6-(4-methyl-1,2,4-triazol-3-yl)-2-oxaspiro[3.3]heptan-6-yl]pyridine
CID 168263039
6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine
CID 168835236
6-chloro-N-(2-methyl-2-methylsulfanylpropyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 169179380
6-chloro-N-(2-methylsulfanylethyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 169179395
N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 169179435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine (CID 155190623) is 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine is Cn1cnnc1CC1(c2cc(Cl)nc(NC3COC3)c2)COC1.
What is the InChIKey of 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine?
The InChIKey is DVMCLISPGBTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-21-9-17-20-14(21)4-15(7-23-8-15)10-2-12(16)19-13(3-10)18-11-5-22-6-11/h2-3,9,11H,4-8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine?
6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine has a molecular weight of 335.80 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine is sourced from PubChem (CID 155190623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).