6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine

C13H11ClN4O — CID 118648188

IUPAC6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine
SMILESCn1nnc2c(OCc3ccccc3)nc(Cl)cc21
InChIInChI=1S/C13H11ClN4O/c1-18-10-7-11(14)15-13(12(10)16-17-18)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeySHKVULKDZDIRDX-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.60
Rot. Bonds3

About 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine

6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine (PubChem CID 118648188) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine
PubChem CID118648188
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine
SMILESCn1nnc2c(OCc3ccccc3)nc(Cl)cc21
InChIInChI=1S/C13H11ClN4O/c1-18-10-7-11(14)15-13(12(10)16-17-18)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeySHKVULKDZDIRDX-UHFFFAOYSA-N
XLogP2.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.60
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

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
2-(3-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 848994
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-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[2,3-c]pyridine
CID 11538765
5-Chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11552011
5-Chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11582747
5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
CID 11594663
5-Chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynylpyrrolo[2,3-c]pyridine
CID 11609850
5-Chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11617419
5-Chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11631343

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine?
The IUPAC name of 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine (CID 118648188) is 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine is Cn1nnc2c(OCc3ccccc3)nc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine?
The InChIKey is SHKVULKDZDIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-10-7-11(14)15-13(12(10)16-17-18)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine?
6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine has a molecular weight of 274.71 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-phenylmethoxytriazolo[4,5-c]pyridine is sourced from PubChem (CID 118648188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).