1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde

C17H23N5O — CID 94962874

IUPAC1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde
SMILESCCCc1c(C=O)nnn1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H23N5O/c1-3-4-16-15(12-23)19-20-22(16)14-5-6-17(18-11-14)21-9-7-13(2)8-10-21/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyZYBYXJSRDGIMAK-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.66
Rot. Bonds5

About 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde

1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde (PubChem CID 94962874) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde
PubChem CID94962874
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde
SMILESCCCc1c(C=O)nnn1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H23N5O/c1-3-4-16-15(12-23)19-20-22(16)14-5-6-17(18-11-14)21-9-7-13(2)8-10-21/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyZYBYXJSRDGIMAK-UHFFFAOYSA-N
XLogP2.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-propyl-1-(4-pyrrolidin-1-ylphenyl)triazole-4-carbaldehyde
CID 82199580
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
5-ethyl-1-(4-pyrrolidin-1-ylphenyl)triazole-4-carbaldehyde
CID 82199577
1-(4-chloro-3-nitrophenyl)-5-propyltriazole-4-carbaldehyde
CID 82197757
5-(2-cyclohexylethyl)-1-(3,4-dimethylphenyl)triazole-4-carbaldehyde
CID 94936978
5-butyl-1-(3,4-diethoxyphenyl)triazole-4-carbaldehyde
CID 94940144
1-(4-methoxy-3-nitrophenyl)-5-propyltriazole-4-carbaldehyde
CID 82197393
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
5-(5-butyl-4-formyltriazol-1-yl)-2-hydroxybenzoic acid
CID 82199258
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
CID 111048732
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde?
The IUPAC name of 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde (CID 94962874) is 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde.
What is the SMILES notation for 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde?
The canonical SMILES for 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde is CCCc1c(C=O)nnn1-c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde?
The InChIKey is ZYBYXJSRDGIMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-4-16-15(12-23)19-20-22(16)14-5-6-17(18-11-14)21-9-7-13(2)8-10-21/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde?
1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde has a molecular weight of 313.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propyltriazole-4-carbaldehyde is sourced from PubChem (CID 94962874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).