(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol

C16H21N7O3 — CID 5441896

IUPAC(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
SMILESOC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N7O3/c24-11-13(25)10-17-22-15-19-14(18-12-4-2-1-3-5-12)20-16(21-15)23-6-8-26-9-7-23/h1-5,10,13,24-25H,6-9,11H2,(H2,18,19,20,21,22)/b17-10-/t13-/m0/s1
InChIKeyXIOJQBMJFKNFSX-NWRYFCBHSA-N
MW359.39 g/mol
LogP0.20
Rot. Bonds7

About (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol

(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol (PubChem CID 5441896) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol.

Molecular Properties

Compound Name(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
PubChem CID5441896
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
SMILESOC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N7O3/c24-11-13(25)10-17-22-15-19-14(18-12-4-2-1-3-5-12)20-16(21-15)23-6-8-26-9-7-23/h1-5,10,13,24-25H,6-9,11H2,(H2,18,19,20,21,22)/b17-10-/t13-/m0/s1
InChIKeyXIOJQBMJFKNFSX-NWRYFCBHSA-N
XLogP0.20
TPSA128.02 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441897
(2S,3Z)-3-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5457216
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-(cinnamylideneamino)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 78460795
2-N-[(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3592088
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409
4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
CID 136772678
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The IUPAC name of (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol (CID 5441896) is (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol.
What is the SMILES notation for (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The canonical SMILES for (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol is OC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The InChIKey is XIOJQBMJFKNFSX-NWRYFCBHSA-N. The full InChI is InChI=1S/C16H21N7O3/c24-11-13(25)10-17-22-15-19-14(18-12-4-2-1-3-5-12)20-16(21-15)23-6-8-26-9-7-23/h1-5,10,13,24-25H,6-9,11H2,(H2,18,19,20,21,22)/b17-10-/t13-/m0/s1.
What are the key properties of (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol has a molecular weight of 359.39 g/mol, XLogP of 0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol is sourced from PubChem (CID 5441896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).