5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine

C26H25N7 — CID 118594497

IUPAC5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
SMILESCCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)n1
InChIInChI=1S/C26H25N7/c1-4-32(5-2)22-17-16-21(18(3)27-22)28-24-23(19-12-8-6-9-13-19)31-33-25(29-30-26(24)33)20-14-10-7-11-15-20/h6-17H,4-5H2,1-3H3/b28-24-
InChIKeyCSSWGPVNYUCSLW-COOPMVRXSA-N
MW435.54 g/mol
LogP4.88
Rot. Bonds6

About 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine

5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine (PubChem CID 118594497) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
PubChem CID118594497
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
SMILESCCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)n1
InChIInChI=1S/C26H25N7/c1-4-32(5-2)22-17-16-21(18(3)27-22)28-24-23(19-12-8-6-9-13-19)31-33-25(29-30-26(24)33)20-14-10-7-11-15-20/h6-17H,4-5H2,1-3H3/b28-24-
InChIKeyCSSWGPVNYUCSLW-COOPMVRXSA-N
XLogP4.88
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?
The IUPAC name of 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine (CID 118594497) is 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?
The canonical SMILES for 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine is CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)n1.
What is the InChIKey of 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?
The InChIKey is CSSWGPVNYUCSLW-COOPMVRXSA-N. The full InChI is InChI=1S/C26H25N7/c1-4-32(5-2)22-17-16-21(18(3)27-22)28-24-23(19-12-8-6-9-13-19)31-33-25(29-30-26(24)33)20-14-10-7-11-15-20/h6-17H,4-5H2,1-3H3/b28-24-.
What are the key properties of 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine?
5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine has a molecular weight of 435.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine is sourced from PubChem (CID 118594497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).