[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol

C8H15N5O3 — CID 22345019

IUPAC[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
SMILESCOCNc1ncnc(N(CO)COC)n1
InChIInChI=1S/C8H15N5O3/c1-15-4-11-7-9-3-10-8(12-7)13(5-14)6-16-2/h3,14H,4-6H2,1-2H3,(H,9,10,11,12)
InChIKeyCOHKXIUKGQHXRA-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.75
Rot. Bonds7

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

[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol (PubChem CID 22345019) has the molecular formula C8H15N5O3 and a molecular weight of 229.24 g/mol. Its IUPAC name is [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol.

Molecular Properties

Compound Name[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
PubChem CID22345019
Molecular FormulaC8H15N5O3
Molecular Weight229.24 g/mol
Exact Mass229.12
IUPAC Name[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
SMILESCOCNc1ncnc(N(CO)COC)n1
InChIInChI=1S/C8H15N5O3/c1-15-4-11-7-9-3-10-8(12-7)13(5-14)6-16-2/h3,14H,4-6H2,1-2H3,(H,9,10,11,12)
InChIKeyCOHKXIUKGQHXRA-UHFFFAOYSA-N
XLogP-0.75
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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 [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol?
The IUPAC name of [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol (CID 22345019) is [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol.
What is the SMILES notation for [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol?
The canonical SMILES for [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol is COCNc1ncnc(N(CO)COC)n1.
What is the InChIKey of [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol?
The InChIKey is COHKXIUKGQHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3/c1-15-4-11-7-9-3-10-8(12-7)13(5-14)6-16-2/h3,14H,4-6H2,1-2H3,(H,9,10,11,12).
What are the key properties of [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol?
[methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol has a molecular weight of 229.24 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol is sourced from PubChem (CID 22345019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).