N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine

C24H17N5 — CID 6834108

IUPACN-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
SMILESC(=NNc1nncc(-c2ccccc2)n1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H17N5/c1-2-8-17(9-3-1)23-16-26-29-24(27-23)28-25-15-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-16H,(H,27,28,29)
InChIKeyRSFPPCWGJBUAAU-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.29
Rot. Bonds4

About N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine

N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 6834108) has the molecular formula C24H17N5 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID6834108
Molecular FormulaC24H17N5
Molecular Weight375.44 g/mol
Exact Mass375.15
IUPAC NameN-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
SMILESC(=NNc1nncc(-c2ccccc2)n1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H17N5/c1-2-8-17(9-3-1)23-16-26-29-24(27-23)28-25-15-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-16H,(H,27,28,29)
InChIKeyRSFPPCWGJBUAAU-UHFFFAOYSA-N
XLogP5.29
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
CID 7767197
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410895
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine (CID 6834108) is N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine is C(=NNc1nncc(-c2ccccc2)n1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is RSFPPCWGJBUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5/c1-2-8-17(9-3-1)23-16-26-29-24(27-23)28-25-15-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-16H,(H,27,28,29).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine?
N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 375.44 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 6834108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).