N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide

C10H17N5O4 — CID 58757792

IUPACN-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(CO)c1ncnc(N(COC)C(C)=O)n1
InChIInChI=1S/C10H17N5O4/c1-8(17)15(7-19-3)10-12-4-11-9(13-10)14(5-16)6-18-2/h4,16H,5-7H2,1-3H3
InChIKeyWOBCNISTAFSVKY-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.81
Rot. Bonds7

About N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide

N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (PubChem CID 58757792) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
PubChem CID58757792
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC NameN-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCOCN(CO)c1ncnc(N(COC)C(C)=O)n1
InChIInChI=1S/C10H17N5O4/c1-8(17)15(7-19-3)10-12-4-11-9(13-10)14(5-16)6-18-2/h4,16H,5-7H2,1-3H3
InChIKeyWOBCNISTAFSVKY-UHFFFAOYSA-N
XLogP-0.81
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(1,3,5-Triazine-2,4-diyl)bis(N-methylacetamide)
CID 71335755
N-[4-[acetyl(ethyl)amino]-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 85536230
N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 20631259
N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 21356882
N-[4-[acetyl(hydroxy)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57558665
N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 58757793
N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59602554
N-[4-[bis(methoxymethyl)amino]-6-[methoxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59649975
N-acetyl-N-[4-[bis(hydroxymethyl)amino]-6-[hydroxymethyl(methyl)amino]-1,3,5-triazin-2-yl]acetamide
CID 130361048
N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide
CID 175118443

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The IUPAC name of N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (CID 58757792) is N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The canonical SMILES for N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is COCN(CO)c1ncnc(N(COC)C(C)=O)n1.
What is the InChIKey of N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The InChIKey is WOBCNISTAFSVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-8(17)15(7-19-3)10-12-4-11-9(13-10)14(5-16)6-18-2/h4,16H,5-7H2,1-3H3.
What are the key properties of N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is sourced from PubChem (CID 58757792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).