6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine

C18H21ClN4O2 — CID 20820679

IUPAC6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine
SMILESCOCCCCCn1nnc2cc(Cl)nc(OCc3ccccc3)c21
InChIInChI=1S/C18H21ClN4O2/c1-24-11-7-3-6-10-23-17-15(21-22-23)12-16(19)20-18(17)25-13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyDOVCWNZLXUXBBD-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.88
Rot. Bonds9

About 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine

6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine (PubChem CID 20820679) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine
PubChem CID20820679
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine
SMILESCOCCCCCn1nnc2cc(Cl)nc(OCc3ccccc3)c21
InChIInChI=1S/C18H21ClN4O2/c1-24-11-7-3-6-10-23-17-15(21-22-23)12-16(19)20-18(17)25-13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyDOVCWNZLXUXBBD-UHFFFAOYSA-N
XLogP3.88
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11538092
7-[(4-Chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11695845
2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 1234296
Dibutyl-[3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341809
2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
CID 52942922
2-(3-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 848994
3-[[5-Chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]benzonitrile
CID 11495445
1-[(3-Chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11495713
5-Chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11501093
5-Chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
CID 11516031
5-Chloro-1-[(2,5-dimethylphenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11531908
5-Chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[2,3-c]pyridine
CID 11538765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine?
The IUPAC name of 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine (CID 20820679) is 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine is COCCCCCn1nnc2cc(Cl)nc(OCc3ccccc3)c21.
What is the InChIKey of 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine?
The InChIKey is DOVCWNZLXUXBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-24-11-7-3-6-10-23-17-15(21-22-23)12-16(19)20-18(17)25-13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine?
6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine has a molecular weight of 360.85 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-methoxypentyl)-4-phenylmethoxytriazolo[4,5-c]pyridine is sourced from PubChem (CID 20820679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).