N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C10H13N7O — CID 6866652

IUPACN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(C)cc1/C=N/NC(=O)Cn1cncn1
InChIInChI=1S/C10H13N7O/c1-8-9(4-16(2)15-8)3-12-14-10(18)5-17-7-11-6-13-17/h3-4,6-7H,5H2,1-2H3,(H,14,18)/b12-3+
InChIKeyHOTLAGCFDIVUSM-KGVSQERTSA-N
MW247.26 g/mol
LogP-0.53
Rot. Bonds4

About N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 6866652) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID6866652
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(C)cc1/C=N/NC(=O)Cn1cncn1
InChIInChI=1S/C10H13N7O/c1-8-9(4-16(2)15-8)3-12-14-10(18)5-17-7-11-6-13-17/h3-4,6-7H,5H2,1-2H3,(H,14,18)/b12-3+
InChIKeyHOTLAGCFDIVUSM-KGVSQERTSA-N
XLogP-0.53
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide 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 N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 6866652) is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is Cc1nn(C)cc1/C=N/NC(=O)Cn1cncn1.
What is the InChIKey of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HOTLAGCFDIVUSM-KGVSQERTSA-N. The full InChI is InChI=1S/C10H13N7O/c1-8-9(4-16(2)15-8)3-12-14-10(18)5-17-7-11-6-13-17/h3-4,6-7H,5H2,1-2H3,(H,14,18)/b12-3+.
What are the key properties of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 6866652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).