N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

C20H22N6 — CID 3096776

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCN(CC)c1ccc(C=NNc2nncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N6/c1-3-26(4-2)18-12-10-16(11-13-18)14-21-24-20-23-19(15-22-25-20)17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyKZQDNMZLXPOPEF-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.83
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 3096776) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID3096776
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCN(CC)c1ccc(C=NNc2nncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N6/c1-3-26(4-2)18-12-10-16(11-13-18)14-21-24-20-23-19(15-22-25-20)17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyKZQDNMZLXPOPEF-UHFFFAOYSA-N
XLogP3.83
TPSA66.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
CID 6834108
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
CID 7767197
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 26366885
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazin-3-amine
CID 11405768
3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135891519
3-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454370

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (CID 3096776) is N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is CCN(CC)c1ccc(C=NNc2nncc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is KZQDNMZLXPOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-3-26(4-2)18-12-10-16(11-13-18)14-21-24-20-23-19(15-22-25-20)17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 346.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 3096776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).