formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C24H31N7O3 — CID 175084825

IUPACformic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(Nc4cccnc4)cc3O)nn2)CC(C)(C)N1.O=CO
InChIInChI=1S/C23H29N7O.CH2O2/c1-22(2)11-17(12-23(3,4)30-22)27-21-25-14-19(28-29-21)18-8-7-15(10-20(18)31)26-16-6-5-9-24-13-16;2-1-3/h5-10,13-14,17,26,30-31H,11-12H2,1-4H3,(H,25,27,29);1H,(H,2,3)
InChIKeyRVOQVGGZVAYOBX-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.80
Rot. Bonds5

About formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 175084825) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Nameformic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID175084825
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Nameformic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(Nc4cccnc4)cc3O)nn2)CC(C)(C)N1.O=CO
InChIInChI=1S/C23H29N7O.CH2O2/c1-22(2)11-17(12-23(3,4)30-22)27-21-25-14-19(28-29-21)18-8-7-15(10-20(18)31)26-16-6-5-9-24-13-16;2-1-3/h5-10,13-14,17,26,30-31H,11-12H2,1-4H3,(H,25,27,29);1H,(H,2,3)
InChIKeyRVOQVGGZVAYOBX-UHFFFAOYSA-N
XLogP3.80
TPSA145.18 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536618
5-(4-fluoropyrazol-1-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536727
2-[3-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777891
2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol
CID 69186238
6-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]quinolin-7-ol;hydrobromide
CID 139536481
3-[[4-chloro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 147109405
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol;hydrochloride
CID 139536714
5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine-2,4-diamine
CID 46865948
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626075
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
CID 139536580
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
CID 165040049
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
CID 139536860

Frequently Asked Questions

What is the IUPAC name of formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 175084825) is formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CC1(C)CC(Nc2ncc(-c3ccc(Nc4cccnc4)cc3O)nn2)CC(C)(C)N1.O=CO.
What is the InChIKey of formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is RVOQVGGZVAYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O.CH2O2/c1-22(2)11-17(12-23(3,4)30-22)27-21-25-14-19(28-29-21)18-8-7-15(10-20(18)31)26-16-6-5-9-24-13-16;2-1-3/h5-10,13-14,17,26,30-31H,11-12H2,1-4H3,(H,25,27,29);1H,(H,2,3).
What are the key properties of formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 465.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-(pyridin-3-ylamino)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 175084825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).