3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine

C11H12N6 — CID 4289184

IUPAC3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine
SMILESNn1cnnc1NN=CC=Cc1ccccc1
InChIInChI=1S/C11H12N6/c12-17-9-14-16-11(17)15-13-8-4-7-10-5-2-1-3-6-10/h1-9H,12H2,(H,15,16)
InChIKeyWPCHTKOSZNHKEL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.10
Rot. Bonds4

About 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine

3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine (PubChem CID 4289184) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine
PubChem CID4289184
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine
SMILESNn1cnnc1NN=CC=Cc1ccccc1
InChIInChI=1S/C11H12N6/c12-17-9-14-16-11(17)15-13-8-4-7-10-5-2-1-3-6-10/h1-9H,12H2,(H,15,16)
InChIKeyWPCHTKOSZNHKEL-UHFFFAOYSA-N
XLogP1.10
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine (CID 4289184) is 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine is Nn1cnnc1NN=CC=Cc1ccccc1.
What is the InChIKey of 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine?
The InChIKey is WPCHTKOSZNHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-17-9-14-16-11(17)15-13-8-4-7-10-5-2-1-3-6-10/h1-9H,12H2,(H,15,16).
What are the key properties of 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine?
3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 4289184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).