1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide

C16H16N8O2 — CID 6322784

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)N/N=C2\CCCc3ccccc32)nnn1-c1nonc1N
InChIInChI=1S/C16H16N8O2/c1-9-13(19-23-24(9)15-14(17)21-26-22-15)16(25)20-18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H2,17,21)(H,20,25)/b18-12+
InChIKeyIPCAMOWWSJUMHI-LDADJPATSA-N
MW352.36 g/mol
LogP1.01
Rot. Bonds3

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide (PubChem CID 6322784) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide
PubChem CID6322784
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)N/N=C2\CCCc3ccccc32)nnn1-c1nonc1N
InChIInChI=1S/C16H16N8O2/c1-9-13(19-23-24(9)15-14(17)21-26-22-15)16(25)20-18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H2,17,21)(H,20,25)/b18-12+
InChIKeyIPCAMOWWSJUMHI-LDADJPATSA-N
XLogP1.01
TPSA137.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-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)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide
CID 6248935
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide
CID 5017800
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 2261119
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1035454
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 5435316
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(pyridin-3-ylmethylideneamino)triazole-4-carboxamide
CID 691878
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1H-benzimidazol-2-ylmethylideneamino)-5-methyltriazole-4-carboxamide
CID 3772819
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-iodophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1248725
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,3-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1247798
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(4-methylpentan-2-ylideneamino)triazole-4-carboxamide
CID 3663367
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
CID 538912
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-methyltriazole-4-carboxamide
CID 135684040

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide (CID 6322784) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide is Cc1c(C(=O)N/N=C2\CCCc3ccccc32)nnn1-c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide?
The InChIKey is IPCAMOWWSJUMHI-LDADJPATSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-9-13(19-23-24(9)15-14(17)21-26-22-15)16(25)20-18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H2,17,21)(H,20,25)/b18-12+.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6322784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).