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

C5H9N5O — CID 58571407

IUPAC[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
SMILESCc1nc(N)nc(NCO)n1
InChIInChI=1S/C5H9N5O/c1-3-8-4(6)10-5(9-3)7-2-11/h11H,2H2,1H3,(H3,6,7,8,9,10)
InChIKeySKCOHYHOGYXTNZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.88
Rot. Bonds2

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

[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol (PubChem CID 58571407) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol.

Molecular Properties

Compound Name[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
PubChem CID58571407
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
SMILESCc1nc(N)nc(NCO)n1
InChIInChI=1S/C5H9N5O/c1-3-8-4(6)10-5(9-3)7-2-11/h11H,2H2,1H3,(H3,6,7,8,9,10)
InChIKeySKCOHYHOGYXTNZ-UHFFFAOYSA-N
XLogP-0.88
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methyl-1,3,5-triazin-2-yl)amino]methanol?
The IUPAC name of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol (CID 58571407) is [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol.
What is the SMILES notation for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol?
The canonical SMILES for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol is Cc1nc(N)nc(NCO)n1.
What is the InChIKey of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol?
The InChIKey is SKCOHYHOGYXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-3-8-4(6)10-5(9-3)7-2-11/h11H,2H2,1H3,(H3,6,7,8,9,10).
What are the key properties of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol?
[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol has a molecular weight of 155.16 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol is sourced from PubChem (CID 58571407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).