1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide

C17H21N9O2 — CID 6881562

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N
InChIInChI=1S/C17H21N9O2/c1-10(2)14-13(20-24-26(14)16-15(18)22-28-23-16)17(27)21-19-9-11-5-7-12(8-6-11)25(3)4/h5-10H,1-4H3,(H2,18,22)(H,21,27)/b19-9+
InChIKeyGGSDYADVGPEEAR-DJKKODMXSA-N
MW383.42 g/mol
LogP1.19
Rot. Bonds6

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide (PubChem CID 6881562) has the molecular formula C17H21N9O2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide
PubChem CID6881562
Molecular FormulaC17H21N9O2
Molecular Weight383.42 g/mol
Exact Mass383.18
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N
InChIInChI=1S/C17H21N9O2/c1-10(2)14-13(20-24-26(14)16-15(18)22-28-23-16)17(27)21-19-9-11-5-7-12(8-6-11)25(3)4/h5-10H,1-4H3,(H2,18,22)(H,21,27)/b19-9+
InChIKeyGGSDYADVGPEEAR-DJKKODMXSA-N
XLogP1.19
TPSA140.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 51.19
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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-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-propan-2-yl-N-[(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
CID 2006695
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(thiophen-3-ylmethylideneamino)triazole-4-carboxamide
CID 2001700
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)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-5-propan-2-yltriazole-4-carboxamide
CID 6147551
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide
CID 2040838
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]triazole-4-carboxamide
CID 6368401
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-5-(3-ethoxyphenyl)triazole-4-carboxamide
CID 3850818
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-5-propan-2-yltriazole-4-carboxamide
CID 6889245
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-[(Z)-(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 5435316
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-(diethylamino)phenyl]methylideneamino]-5-propyltriazole-4-carboxamide
CID 6056266

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide (CID 6881562) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide is CC(C)c1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide?
The InChIKey is GGSDYADVGPEEAR-DJKKODMXSA-N. The full InChI is InChI=1S/C17H21N9O2/c1-10(2)14-13(20-24-26(14)16-15(18)22-28-23-16)17(27)21-19-9-11-5-7-12(8-6-11)25(3)4/h5-10H,1-4H3,(H2,18,22)(H,21,27)/b19-9+.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 1.19, 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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 6881562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).