1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide

C15H17N9O2 — CID 3726769

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
SMILESCC(=NNC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cccnc1
InChIInChI=1S/C15H17N9O2/c1-8(2)12-11(19-23-24(12)14-13(16)21-26-22-14)15(25)20-18-9(3)10-5-4-6-17-7-10/h4-8H,1-3H3,(H2,16,21)(H,20,25)
InChIKeyOINWYFAFXLAGSQ-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.90
Rot. Bonds5

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide (PubChem CID 3726769) has the molecular formula C15H17N9O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
PubChem CID3726769
Molecular FormulaC15H17N9O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
SMILESCC(=NNC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cccnc1
InChIInChI=1S/C15H17N9O2/c1-8(2)12-11(19-23-24(12)14-13(16)21-26-22-14)15(25)20-18-9(3)10-5-4-6-17-7-10/h4-8H,1-3H3,(H2,16,21)(H,20,25)
InChIKeyOINWYFAFXLAGSQ-UHFFFAOYSA-N
XLogP0.90
TPSA150.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.90
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'}

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Related Compounds

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]-5-propan-2-yltriazole-4-carboxamide
CID 3716799
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]-5-propan-2-yltriazole-4-carboxamide
CID 5198507
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3761205
N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide
CID 4672585
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1-phenylpropylideneamino)-5-propan-2-yltriazole-4-carboxamide
CID 3792835
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3751521
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethylideneamino]-5-propan-2-yltriazole-4-carboxamide
CID 3779188
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 45053919
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-(1-phenylethylideneamino)triazole-4-carboxamide
CID 3400111
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-4-ylethylideneamino)-5-thiophen-2-yltriazole-4-carboxamide
CID 3878331
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
CID 6889752
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-[(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
CID 2006695

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide (CID 3726769) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide is CC(=NNC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cccnc1.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide?
The InChIKey is OINWYFAFXLAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9O2/c1-8(2)12-11(19-23-24(12)14-13(16)21-26-22-14)15(25)20-18-9(3)10-5-4-6-17-7-10/h4-8H,1-3H3,(H2,16,21)(H,20,25).
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 0.90, 5 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)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide is sourced from PubChem (CID 3726769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).