[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol

C5H10N6O — CID 18172235

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol
SMILESCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C5H10N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h12H,2H2,1H3,(H4,6,7,8,9,10)
InChIKeyXHRCTKFMKIDXSH-UHFFFAOYSA-N
MW170.18 g/mol
LogP-1.58
Rot. Bonds2

About [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol

[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol (PubChem CID 18172235) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol
PubChem CID18172235
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol
SMILESCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C5H10N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h12H,2H2,1H3,(H4,6,7,8,9,10)
InChIKeyXHRCTKFMKIDXSH-UHFFFAOYSA-N
XLogP-1.58
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol (CID 18172235) is [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol is CN(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol?
The InChIKey is XHRCTKFMKIDXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h12H,2H2,1H3,(H4,6,7,8,9,10).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol has a molecular weight of 170.18 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanol is sourced from PubChem (CID 18172235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).