N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine

C20H24N8 — CID 21214266

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine
SMILESCN(C)c1ccc(C=NNc2nncn2/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N8/c1-26(2)18-9-5-16(6-10-18)13-21-24-20-25-22-15-28(20)23-14-17-7-11-19(12-8-17)27(3)4/h5-15H,1-4H3,(H,24,25)/b21-13?,23-14+
InChIKeyYMGIGUSVLSDZPP-KIWLYEELSA-N
MW376.47 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine (PubChem CID 21214266) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine
PubChem CID21214266
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine
SMILESCN(C)c1ccc(C=NNc2nncn2/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N8/c1-26(2)18-9-5-16(6-10-18)13-21-24-20-25-22-15-28(20)23-14-17-7-11-19(12-8-17)27(3)4/h5-15H,1-4H3,(H,24,25)/b21-13?,23-14+
InChIKeyYMGIGUSVLSDZPP-KIWLYEELSA-N
XLogP2.74
TPSA73.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'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 N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine (CID 21214266) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine is CN(C)c1ccc(C=NNc2nncn2/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine?
The InChIKey is YMGIGUSVLSDZPP-KIWLYEELSA-N. The full InChI is InChI=1S/C20H24N8/c1-26(2)18-9-5-16(6-10-18)13-21-24-20-25-22-15-28(20)23-14-17-7-11-19(12-8-17)27(3)4/h5-15H,1-4H3,(H,24,25)/b21-13?,23-14+.
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine has a molecular weight of 376.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine is sourced from PubChem (CID 21214266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).