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

C17H23N7O2 — CID 5441897

IUPAC(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
SMILESOC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H23N7O2/c25-12-14(26)11-18-23-16-20-15(19-13-7-3-1-4-8-13)21-17(22-16)24-9-5-2-6-10-24/h1,3-4,7-8,11,14,25-26H,2,5-6,9-10,12H2,(H2,19,20,21,22,23)/b18-11-/t14-/m0/s1
InChIKeyRHHNGRWEZKGGCN-DZBQEORWSA-N
MW357.42 g/mol
LogP1.36
Rot. Bonds7

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

(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol (PubChem CID 5441897) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol.

Molecular Properties

Compound Name(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
PubChem CID5441897
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
SMILESOC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H23N7O2/c25-12-14(26)11-18-23-16-20-15(19-13-7-3-1-4-8-13)21-17(22-16)24-9-5-2-6-10-24/h1,3-4,7-8,11,14,25-26H,2,5-6,9-10,12H2,(H2,19,20,21,22,23)/b18-11-/t14-/m0/s1
InChIKeyRHHNGRWEZKGGCN-DZBQEORWSA-N
XLogP1.36
TPSA118.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441896
(2S,3Z)-3-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5457216
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
4-N-phenyl-2-N-[(E)-pyridin-3-ylmethylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 56688382
4-N-phenyl-6-piperidin-1-yl-2-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 5187463
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 2852361
4-N-(4-fluorophenyl)-2-N-[(E)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5334866
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962248
2-N-[(3-iodophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 85026567
2-[3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024761
2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 137172606

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The IUPAC name of (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol (CID 5441897) is (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol.
What is the SMILES notation for (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The canonical SMILES for (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol is OC[C@@H](O)/C=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
The InChIKey is RHHNGRWEZKGGCN-DZBQEORWSA-N. The full InChI is InChI=1S/C17H23N7O2/c25-12-14(26)11-18-23-16-20-15(19-13-7-3-1-4-8-13)21-17(22-16)24-9-5-2-6-10-24/h1,3-4,7-8,11,14,25-26H,2,5-6,9-10,12H2,(H2,19,20,21,22,23)/b18-11-/t14-/m0/s1.
What are the key properties of (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol?
(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol has a molecular weight of 357.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol is sourced from PubChem (CID 5441897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).