2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

C25H25N7O3 — CID 3314272

IUPAC2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nc(Nc3cccc4ccccc34)nc(N3CCOCC3)n2)c1O
InChIInChI=1S/C25H25N7O3/c1-34-21-11-5-8-18(22(21)33)16-26-31-24-28-23(29-25(30-24)32-12-14-35-15-13-32)27-20-10-4-7-17-6-2-3-9-19(17)20/h2-11,16,33H,12-15H2,1H3,(H2,27,28,29,30,31)
InChIKeyTUCQAUXZUJANGY-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.77
Rot. Bonds7

About 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 3314272) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID3314272
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nc(Nc3cccc4ccccc34)nc(N3CCOCC3)n2)c1O
InChIInChI=1S/C25H25N7O3/c1-34-21-11-5-8-18(22(21)33)16-26-31-24-28-23(29-25(30-24)32-12-14-35-15-13-32)27-20-10-4-7-17-6-2-3-9-19(17)20/h2-11,16,33H,12-15H2,1H3,(H2,27,28,29,30,31)
InChIKeyTUCQAUXZUJANGY-UHFFFAOYSA-N
XLogP3.77
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135887742
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
CID 11835920
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3099879
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-[(Z)-3-phenylbut-2-enylidene]amino]-1,3,5-triazine-2,4-diamine
CID 22303535
2-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
CID 171978881
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 6026351
4-chloro-2-[[[4-(3-chloro-4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 2857720
4-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135593794
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
4-bromo-2-[(Z)-[[4-(2-bromo-5-chloro-4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 137089064
2-N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3405853

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 3314272) is 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2nc(Nc3cccc4ccccc34)nc(N3CCOCC3)n2)c1O.
What is the InChIKey of 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is TUCQAUXZUJANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-34-21-11-5-8-18(22(21)33)16-26-31-24-28-23(29-25(30-24)32-12-14-35-15-13-32)27-20-10-4-7-17-6-2-3-9-19(17)20/h2-11,16,33H,12-15H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 471.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3314272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).