1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride

C25H26ClN7O2 — CID 136694379

IUPAC1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1C=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25N7O2.ClH/c33-22-11-10-19-8-4-5-9-20(19)21(22)17-27-31-24-28-23(26-16-18-6-2-1-3-7-18)29-25(30-24)32-12-14-34-15-13-32;/h1-11,17,33H,12-16H2,(H2,26,28,29,30,31);1H
InChIKeySYKLGQIVSVESQA-UHFFFAOYSA-N
MW491.98 g/mol
LogP4.05
Rot. Bonds7

About 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride

1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride (PubChem CID 136694379) has the molecular formula C25H26ClN7O2 and a molecular weight of 491.98 g/mol. Its IUPAC name is 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride
PubChem CID136694379
Molecular FormulaC25H26ClN7O2
Molecular Weight491.98 g/mol
Exact Mass491.18
IUPAC Name1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1C=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25N7O2.ClH/c33-22-11-10-19-8-4-5-9-20(19)21(22)17-27-31-24-28-23(26-16-18-6-2-1-3-7-18)29-25(30-24)32-12-14-34-15-13-32;/h1-11,17,33H,12-16H2,(H2,26,28,29,30,31);1H
InChIKeySYKLGQIVSVESQA-UHFFFAOYSA-N
XLogP4.05
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol;hydrochloride
CID 136611939
4-N-benzyl-2-N-[(E)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 56697446
1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135419750
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol
CID 135509019
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
2-[(Z)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 135906066
4-N-benzyl-2-N-[(2-bromo-5-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962149
4-N-benzyl-2-N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3110848
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride (CID 136694379) is 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride is Cl.Oc1ccc2ccccc2c1C=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is SYKLGQIVSVESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.ClH/c33-22-11-10-19-8-4-5-9-20(19)21(22)17-27-31-24-28-23(26-16-18-6-2-1-3-7-18)29-25(30-24)32-12-14-34-15-13-32;/h1-11,17,33H,12-16H2,(H2,26,28,29,30,31);1H.
What are the key properties of 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride?
1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride has a molecular weight of 491.98 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 136694379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).