5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C19H26N4O — CID 134072219

IUPAC5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1C(COCc1ccccc1)CN(CC1CCC1)C2
InChIInChI=1S/C19H26N4O/c1-22-19-17(14-24-13-16-6-3-2-4-7-16)11-23(10-15-8-5-9-15)12-18(19)20-21-22/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyRPUBIFCKKGUTFC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.73
Rot. Bonds6

About 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 134072219) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID134072219
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1C(COCc1ccccc1)CN(CC1CCC1)C2
InChIInChI=1S/C19H26N4O/c1-22-19-17(14-24-13-16-6-3-2-4-7-16)11-23(10-15-8-5-9-15)12-18(19)20-21-22/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyRPUBIFCKKGUTFC-UHFFFAOYSA-N
XLogP2.73
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131662945
5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131642797
1-methyl-5-(oxan-4-ylmethyl)-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155824715
N,N-dimethyl-2-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 134072220
1-methyl-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134076766
(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97406253
1-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131644405
5-[(4-fluorophenyl)methyl]-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155844898
2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131652679
1-methyl-7-(phenylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824961
1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155842050
2-[[(7S)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 97406240

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 134072219) is 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1C(COCc1ccccc1)CN(CC1CCC1)C2.
What is the InChIKey of 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is RPUBIFCKKGUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22-19-17(14-24-13-16-6-3-2-4-7-16)11-23(10-15-8-5-9-15)12-18(19)20-21-22/h2-4,6-7,15,17H,5,8-14H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 326.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 134072219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).