1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

C24H25N7O — CID 136833641

IUPAC1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCCN(CC)c1nc(N/N=C\c2c(O)ccc3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H25N7O/c1-3-31(4-2)24-28-22(26-18-11-6-5-7-12-18)27-23(29-24)30-25-16-20-19-13-9-8-10-17(19)14-15-21(20)32/h5-16,32H,3-4H2,1-2H3,(H2,26,27,28,29,30)/b25-16-
InChIKeyFJMMTTSCQBKPGC-XYGWBWBKSA-N
MW427.51 g/mol
LogP4.77
Rot. Bonds8

About 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 136833641) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID136833641
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCCN(CC)c1nc(N/N=C\c2c(O)ccc3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H25N7O/c1-3-31(4-2)24-28-22(26-18-11-6-5-7-12-18)27-23(29-24)30-25-16-20-19-13-9-8-10-17(19)14-15-21(20)32/h5-16,32H,3-4H2,1-2H3,(H2,26,27,28,29,30)/b25-16-
InChIKeyFJMMTTSCQBKPGC-XYGWBWBKSA-N
XLogP4.77
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 136833641) is 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is CCN(CC)c1nc(N/N=C\c2c(O)ccc3ccccc23)nc(Nc2ccccc2)n1.
What is the InChIKey of 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is FJMMTTSCQBKPGC-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H25N7O/c1-3-31(4-2)24-28-22(26-18-11-6-5-7-12-18)27-23(29-24)30-25-16-20-19-13-9-8-10-17(19)14-15-21(20)32/h5-16,32H,3-4H2,1-2H3,(H2,26,27,28,29,30)/b25-16-.
What are the key properties of 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 427.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 136833641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).