N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline

C15H16N6 — CID 6858549

IUPACN,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline
SMILESCN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1
InChIInChI=1S/C15H16N6/c1-19(2)13-5-7-14(8-6-13)21-9-3-4-15(21)10-18-20-11-16-17-12-20/h3-12H,1-2H3/b18-10+
InChIKeyHSBYKHDWGSSUHB-VCHYOVAHSA-N
MW280.34 g/mol
LogP2.02
Rot. Bonds4

About N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline

N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline (PubChem CID 6858549) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline
PubChem CID6858549
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline
SMILESCN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1
InChIInChI=1S/C15H16N6/c1-19(2)13-5-7-14(8-6-13)21-9-3-4-15(21)10-18-20-11-16-17-12-20/h3-12H,1-2H3/b18-10+
InChIKeyHSBYKHDWGSSUHB-VCHYOVAHSA-N
XLogP2.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline 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

N-(4H-1,2,4-triazol-4-yl)-N-({1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}methylene)amine
CID 6859150
N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6891089
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1H-tetrazole
CID 795681
N-{(E)-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5349387
N-[(E)-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene]-4H-1,2,4-triazol-4-amine
CID 6858396
N-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 6858845
4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-3,5-dimethyl-1,2,4-triazole
CID 6887199
N-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 9559317
N-[(1-methyl-1H-pyrrol-2-yl)methylene]-N-(4H-1,2,4-triazol-4-yl)amine
CID 6858429
N-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 6858852
N-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 5347203

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline (CID 6858549) is N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline is CN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline?
The InChIKey is HSBYKHDWGSSUHB-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H16N6/c1-19(2)13-5-7-14(8-6-13)21-9-3-4-15(21)10-18-20-11-16-17-12-20/h3-12H,1-2H3/b18-10+.
What are the key properties of N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline?
N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline has a molecular weight of 280.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]aniline is sourced from PubChem (CID 6858549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).