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

C19H22N4O2 — CID 118742907

IUPAC5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccoc1)C2COCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22-17-7-9-23(11-16-8-10-24-13-16)18(19(17)20-21-22)14-25-12-15-5-3-2-4-6-15/h2-6,8,10,13,18H,7,9,11-12,14H2,1H3
InChIKeyBKEZQAGWOFOQKA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.72
Rot. Bonds6

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

5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118742907) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118742907
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccoc1)C2COCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22-17-7-9-23(11-16-8-10-24-13-16)18(19(17)20-21-22)14-25-12-15-5-3-2-4-6-15/h2-6,8,10,13,18H,7,9,11-12,14H2,1H3
InChIKeyBKEZQAGWOFOQKA-UHFFFAOYSA-N
XLogP2.72
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118742907) is 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1CCN(Cc1ccoc1)C2COCc1ccccc1.
What is the InChIKey of 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is BKEZQAGWOFOQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-17-7-9-23(11-16-8-10-24-13-16)18(19(17)20-21-22)14-25-12-15-5-3-2-4-6-15/h2-6,8,10,13,18H,7,9,11-12,14H2,1H3.
What are the key properties of 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 338.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethyl)-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118742907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).