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

C5H12N6O2 — CID 66783485

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol
SMILESCO.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C4H8N6O.CH4O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h11H,1H2,(H5,5,6,7,8,9,10);2H,1H3
InChIKeyLZFCCUBAXHNRRY-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.99
Rot. Bonds2

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

[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol (PubChem CID 66783485) has the molecular formula C5H12N6O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol
PubChem CID66783485
Molecular FormulaC5H12N6O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol
SMILESCO.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C4H8N6O.CH4O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h11H,1H2,(H5,5,6,7,8,9,10);2H,1H3
InChIKeyLZFCCUBAXHNRRY-UHFFFAOYSA-N
XLogP-1.99
TPSA143.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol (CID 66783485) is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol is CO.Nc1nc(N)nc(NCO)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol?
The InChIKey is LZFCCUBAXHNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O.CH4O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h11H,1H2,(H5,5,6,7,8,9,10);2H,1H3.
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol has a molecular weight of 188.19 g/mol, XLogP of -1.99, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;methanol is sourced from PubChem (CID 66783485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).