5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C25H35N9O — CID 153348816

IUPAC5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(N)c1ccc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)nc1N
InChIInChI=1S/C25H35N9O/c1-24(2)12-16(13-25(3,4)32-24)33(5)23-28-14-19(30-31-23)17-8-7-15(11-21(17)35)18-9-10-20(34(6)27)22(26)29-18/h7-11,14,16,32,35H,12-13,27H2,1-6H3,(H2,26,29)
InChIKeyUJIQNKSRAVNIHN-UHFFFAOYSA-N
MW477.62 g/mol
LogP2.94
Rot. Bonds5

About 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 153348816) has the molecular formula C25H35N9O and a molecular weight of 477.62 g/mol. Its IUPAC name is 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID153348816
Molecular FormulaC25H35N9O
Molecular Weight477.62 g/mol
Exact Mass477.30
IUPAC Name5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(N)c1ccc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)nc1N
InChIInChI=1S/C25H35N9O/c1-24(2)12-16(13-25(3,4)32-24)33(5)23-28-14-19(30-31-23)17-8-7-15(11-21(17)35)18-9-10-20(34(6)27)22(26)29-18/h7-11,14,16,32,35H,12-13,27H2,1-6H3,(H2,26,29)
InChIKeyUJIQNKSRAVNIHN-UHFFFAOYSA-N
XLogP2.94
TPSA142.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 153348816) is 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(N)c1ccc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)nc1N.
What is the InChIKey of 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is UJIQNKSRAVNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O/c1-24(2)12-16(13-25(3,4)32-24)33(5)23-28-14-19(30-31-23)17-8-7-15(11-21(17)35)18-9-10-20(34(6)27)22(26)29-18/h7-11,14,16,32,35H,12-13,27H2,1-6H3,(H2,26,29).
What are the key properties of 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 477.62 g/mol, XLogP of 2.94, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 153348816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).