1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide

C19H23N9O2 — CID 6074335

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
SMILESCC1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N
InChIInChI=1S/C19H23N9O2/c1-13-7-5-6-10-27(13)12-15-16(22-26-28(15)18-17(20)24-30-25-18)19(29)23-21-11-14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H2,20,24)(H,23,29)/b21-11-
InChIKeyXVJMWKJQXRVDRD-NHDPSOOVSA-N
MW409.45 g/mol
LogP1.37
Rot. Bonds6

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide (PubChem CID 6074335) has the molecular formula C19H23N9O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
PubChem CID6074335
Molecular FormulaC19H23N9O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
SMILESCC1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N
InChIInChI=1S/C19H23N9O2/c1-13-7-5-6-10-27(13)12-15-16(22-26-28(15)18-17(20)24-30-25-18)19(29)23-21-11-14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H2,20,24)(H,23,29)/b21-11-
InChIKeyXVJMWKJQXRVDRD-NHDPSOOVSA-N
XLogP1.37
TPSA140.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide 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

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide;hydrochloride
CID 45054114
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide
CID 92971514
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]triazole-4-carboxamide
CID 92958140
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-5-[[(2S)-2-methylpiperidin-1-yl]methyl]triazole-4-carboxamide
CID 92969189
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-[[(2S)-2-methylpiperidin-1-yl]methyl]triazole-4-carboxamide
CID 92963003
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 45054052
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]triazole-4-carboxamide
CID 136803470
[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate
CID 6375228
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-[(E)-1-(4-phenylphenyl)ethylideneamino]triazole-4-carboxamide
CID 92844741
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]triazole-4-carboxamide;hydrochloride
CID 45054126
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]-N-[(Z)-1-naphthalen-2-ylethylideneamino]triazole-4-carboxamide
CID 6249438
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-N-[(E)-1-naphthalen-2-ylethylideneamino]triazole-4-carboxamide
CID 92844719

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide (CID 6074335) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide is CC1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide?
The InChIKey is XVJMWKJQXRVDRD-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H23N9O2/c1-13-7-5-6-10-27(13)12-15-16(22-26-28(15)18-17(20)24-30-25-18)19(29)23-21-11-14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H2,20,24)(H,23,29)/b21-11-.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 6074335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).