(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine

C13H17N5 — CID 11128512

IUPAC(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine
SMILESCc1nc(/N=C/C2=CC=C/C2=C\N(C)C)n(C)n1
InChIInChI=1S/C13H17N5/c1-10-15-13(18(4)16-10)14-8-11-6-5-7-12(11)9-17(2)3/h5-9H,1-4H3/b12-9+,14-8+
InChIKeySUXFPUDEROKHST-VQHXNPGESA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds3

About (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine

(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine (PubChem CID 11128512) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine
PubChem CID11128512
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine
SMILESCc1nc(/N=C/C2=CC=C/C2=C\N(C)C)n(C)n1
InChIInChI=1S/C13H17N5/c1-10-15-13(18(4)16-10)14-8-11-6-5-7-12(11)9-17(2)3/h5-9H,1-4H3/b12-9+,14-8+
InChIKeySUXFPUDEROKHST-VQHXNPGESA-N
XLogP1.77
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine 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

iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971
4-(6-Methylhepta-4,6-dienyl)-3-propyl-1,2,4-triazole
CID 123155448
4,6,7,11-Tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene
CID 139686403
5-Cyclohexa-1,5-dien-1-yl-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 141302367
6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine
CID 143498487
(1E)-N-[2-[(1E,3E)-3-ethenylhepta-1,3-dienyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methanimidoyl chloride
CID 144064776
ethane;4-ethenyl-3-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 162735579
1-ethenyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 167202336
1-methyl-5-[(Z)-4-methyl-3-methylidenepent-1-enyl]-3-propan-2-yl-1,2,4-triazole
CID 169815824
ethane;1-methyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 171660592
ethane;N-[(1Z,3E)-3-(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)penta-1,3-dienyl]ethanimine
CID 177049818

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine (CID 11128512) is (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine is Cc1nc(/N=C/C2=CC=C/C2=C\N(C)C)n(C)n1.
What is the InChIKey of (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine?
The InChIKey is SUXFPUDEROKHST-VQHXNPGESA-N. The full InChI is InChI=1S/C13H17N5/c1-10-15-13(18(4)16-10)14-8-11-6-5-7-12(11)9-17(2)3/h5-9H,1-4H3/b12-9+,14-8+.
What are the key properties of (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine?
(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 11128512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).