2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine

C17H22N8O2 — CID 9585790

IUPAC4,6-dimorpholin-4-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine
SMILESC1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CN=CC=C3)N4CCOCC4
InChIInChI=1S/C17H22N8O2/c1-2-14(12-18-3-1)13-19-23-15-20-16(24-4-8-26-9-5-24)22-17(21-15)25-6-10-27-11-7-25/h1-3,12-13H,4-11H2,(H,20,21,22,23)/b19-13+
InChIKeyGSBMTQUMHVVFCB-CPNJWEJPSA-N
MW370.40 g/mol
LogP1.00
Rot. Bonds5

About 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine

2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine (PubChem CID 9585790) has the molecular formula C17H22N8O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine
PubChem CID9585790
Molecular FormulaC17H22N8O2
Molecular Weight370.40 g/mol
Exact Mass370.19
IUPAC Name4,6-dimorpholin-4-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine
SMILESC1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CN=CC=C3)N4CCOCC4
InChIInChI=1S/C17H22N8O2/c1-2-14(12-18-3-1)13-19-23-15-20-16(24-4-8-26-9-5-24)22-17(21-15)25-6-10-27-11-7-25/h1-3,12-13H,4-11H2,(H,20,21,22,23)/b19-13+
InChIKeyGSBMTQUMHVVFCB-CPNJWEJPSA-N
XLogP1.00
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity444

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

Bimiralisib
CID 58507717
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
5-(4,6-Dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 25009673
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
CID 58507929
CID 58507929
5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508043
CID 58508110
CID 58508110
5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508283

Frequently Asked Questions

What is the IUPAC name of 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine (CID 9585790) is 4,6-dimorpholin-4-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine is C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CN=CC=C3)N4CCOCC4.
What is the InChIKey of 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine?
The InChIKey is GSBMTQUMHVVFCB-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-2-14(12-18-3-1)13-19-23-15-20-16(24-4-8-26-9-5-24)22-17(21-15)25-6-10-27-11-7-25/h1-3,12-13H,4-11H2,(H,20,21,22,23)/b19-13+.
What are the key properties of 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine?
2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine has a molecular weight of 370.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(morpholin-4-yl)-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3,5-triazine is sourced from PubChem (CID 9585790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).