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

C6H12N6O3 — CID 21287791

IUPAC[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
SMILESNc1nc(NCO)nc(N(CO)CO)n1
InChIInChI=1S/C6H12N6O3/c7-4-9-5(8-1-13)11-6(10-4)12(2-14)3-15/h13-15H,1-3H2,(H3,7,8,9,10,11)
InChIKeyPYOYNYIKNOJHFL-UHFFFAOYSA-N
MW216.20 g/mol
LogP-2.48
Rot. Bonds5

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

[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol (PubChem CID 21287791) has the molecular formula C6H12N6O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol.

Molecular Properties

Compound Name[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
PubChem CID21287791
Molecular FormulaC6H12N6O3
Molecular Weight216.20 g/mol
Exact Mass216.10
IUPAC Name[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
SMILESNc1nc(NCO)nc(N(CO)CO)n1
InChIInChI=1S/C6H12N6O3/c7-4-9-5(8-1-13)11-6(10-4)12(2-14)3-15/h13-15H,1-3H2,(H3,7,8,9,10,11)
InChIKeyPYOYNYIKNOJHFL-UHFFFAOYSA-N
XLogP-2.48
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol?
The IUPAC name of [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol (CID 21287791) is [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol.
What is the SMILES notation for [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol?
The canonical SMILES for [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol is Nc1nc(NCO)nc(N(CO)CO)n1.
What is the InChIKey of [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol?
The InChIKey is PYOYNYIKNOJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O3/c7-4-9-5(8-1-13)11-6(10-4)12(2-14)3-15/h13-15H,1-3H2,(H3,7,8,9,10,11).
What are the key properties of [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol?
[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol has a molecular weight of 216.20 g/mol, XLogP of -2.48, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol is sourced from PubChem (CID 21287791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).