1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C19H26N4O2 — CID 134070258

IUPAC1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1CN(Cc2cccc(OC)c2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-24-13-16-11-22(9-15-4-3-5-17(8-15)25-2)12-18-19(16)23(21-20-18)10-14-6-7-14/h3-5,8,14,16H,6-7,9-13H2,1-2H3
InChIKeyFHLGGJWIYKUOSD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds7

About 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 134070258) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID134070258
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1CN(Cc2cccc(OC)c2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-24-13-16-11-22(9-15-4-3-5-17(8-15)25-2)12-18-19(16)23(21-20-18)10-14-6-7-14/h3-5,8,14,16H,6-7,9-13H2,1-2H3
InChIKeyFHLGGJWIYKUOSD-UHFFFAOYSA-N
XLogP2.44
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
7-(cyclopropylmethoxymethyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694574
7-(cyclopropylmethoxymethyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155841987
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688615
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(7S)-1,5-bis(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382931
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
(4R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383081
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97369042

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 134070258) is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COCC1CN(Cc2cccc(OC)c2)Cc2nnn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is FHLGGJWIYKUOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-24-13-16-11-22(9-15-4-3-5-17(8-15)25-2)12-18-19(16)23(21-20-18)10-14-6-7-14/h3-5,8,14,16H,6-7,9-13H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 342.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 134070258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).