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

C20H23N5O — CID 118745775

IUPAC1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccncc1)C2COCc1ccccc1
InChIInChI=1S/C20H23N5O/c1-24-18-9-12-25(13-16-7-10-21-11-8-16)19(20(18)22-23-24)15-26-14-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3
InChIKeyDNTCEQCPZQCOPP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.53
Rot. Bonds6

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

1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118745775) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118745775
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccncc1)C2COCc1ccccc1
InChIInChI=1S/C20H23N5O/c1-24-18-9-12-25(13-16-7-10-21-11-8-16)19(20(18)22-23-24)15-26-14-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3
InChIKeyDNTCEQCPZQCOPP-UHFFFAOYSA-N
XLogP2.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118745775) is 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1CCN(Cc1ccncc1)C2COCc1ccccc1.
What is the InChIKey of 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is DNTCEQCPZQCOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-18-9-12-25(13-16-7-10-21-11-8-16)19(20(18)22-23-24)15-26-14-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3.
What are the key properties of 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 349.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118745775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).