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

C18H24N4O — CID 118741178

IUPAC5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccccc1)C2COCC1CC1
InChIInChI=1S/C18H24N4O/c1-21-16-9-10-22(11-14-5-3-2-4-6-14)17(18(16)19-20-21)13-23-12-15-7-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyIFSDLIPUCBVEDQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.34
Rot. Bonds6

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

5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118741178) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118741178
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccccc1)C2COCC1CC1
InChIInChI=1S/C18H24N4O/c1-21-16-9-10-22(11-14-5-3-2-4-6-14)17(18(16)19-20-21)13-23-12-15-7-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyIFSDLIPUCBVEDQ-UHFFFAOYSA-N
XLogP2.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118741178) is 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1CCN(Cc1ccccc1)C2COCC1CC1.
What is the InChIKey of 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is IFSDLIPUCBVEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-16-9-10-22(11-14-5-3-2-4-6-14)17(18(16)19-20-21)13-23-12-15-7-8-15/h2-6,15,17H,7-13H2,1H3.
What are the key properties of 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 312.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118741178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).