N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine

C11H12F3N7O — CID 134108507

IUPACN-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NCc2cccnc2)nc(NCC(F)(F)F)n1
InChIInChI=1S/C11H12F3N7O/c12-11(13,14)6-17-9-18-8(19-10(20-9)21-22)16-5-7-2-1-3-15-4-7/h1-4,22H,5-6H2,(H3,16,17,18,19,20,21)
InChIKeyHTCFZCIMWWRFIW-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.65
Rot. Bonds6

About N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 134108507) has the molecular formula C11H12F3N7O and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID134108507
Molecular FormulaC11H12F3N7O
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC NameN-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NCc2cccnc2)nc(NCC(F)(F)F)n1
InChIInChI=1S/C11H12F3N7O/c12-11(13,14)6-17-9-18-8(19-10(20-9)21-22)16-5-7-2-1-3-15-4-7/h1-4,22H,5-6H2,(H3,16,17,18,19,20,21)
InChIKeyHTCFZCIMWWRFIW-UHFFFAOYSA-N
XLogP1.65
TPSA107.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 126474249
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 134108507) is N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(NCc2cccnc2)nc(NCC(F)(F)F)n1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is HTCFZCIMWWRFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7O/c12-11(13,14)6-17-9-18-8(19-10(20-9)21-22)16-5-7-2-1-3-15-4-7/h1-4,22H,5-6H2,(H3,16,17,18,19,20,21).
What are the key properties of N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 315.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 134108507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).