(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C18H21N5O2 — CID 97383401

IUPAC(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccoc1)C2
InChIInChI=1S/C18H21N5O2/c1-22-18-15(12-25-13-16-4-2-3-6-19-16)9-23(10-17(18)20-21-22)8-14-5-7-24-11-14/h2-7,11,15H,8-10,12-13H2,1H3/t15-/m0/s1
InChIKeyPLVFQNCJRDZPSA-HNNXBMFYSA-N
MW339.40 g/mol
LogP2.12
Rot. Bonds6

About (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97383401) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97383401
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccoc1)C2
InChIInChI=1S/C18H21N5O2/c1-22-18-15(12-25-13-16-4-2-3-6-19-16)9-23(10-17(18)20-21-22)8-14-5-7-24-11-14/h2-7,11,15H,8-10,12-13H2,1H3/t15-/m0/s1
InChIKeyPLVFQNCJRDZPSA-HNNXBMFYSA-N
XLogP2.12
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97406253
(7S)-5-[(4-methoxyphenyl)methyl]-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383414
2-[[(7S)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383406
2-ethoxy-1-[(7S)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 97368963
5-(furan-3-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131642580
5-(cyclopropylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131662945
N,N-dimethyl-2-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 134072220
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383391
2-[[(7R)-1-methyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383373
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
5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134072219

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97383401) is (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccoc1)C2.
What is the InChIKey of (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is PLVFQNCJRDZPSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-18-15(12-25-13-16-4-2-3-6-19-16)9-23(10-17(18)20-21-22)8-14-5-7-24-11-14/h2-7,11,15H,8-10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 339.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(furan-3-ylmethyl)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97383401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).