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

C9H16N6O4 — CID 22762270

IUPACN-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESCN(C)c1nc(N(C=O)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H16N6O4/c1-13(2)7-10-8(14(3-16)4-17)12-9(11-7)15(5-18)6-19/h3,17-19H,4-6H2,1-2H3
InChIKeyYNSOGWZCJUQSQE-UHFFFAOYSA-N
MW272.27 g/mol
LogP-2.44
Rot. Bonds7

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

N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (PubChem CID 22762270) has the molecular formula C9H16N6O4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
PubChem CID22762270
Molecular FormulaC9H16N6O4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESCN(C)c1nc(N(C=O)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H16N6O4/c1-13(2)7-10-8(14(3-16)4-17)12-9(11-7)15(5-18)6-19/h3,17-19H,4-6H2,1-2H3
InChIKeyYNSOGWZCJUQSQE-UHFFFAOYSA-N
XLogP-2.44
TPSA126.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Hexamethylolmelamine
CID 62361
Trimelamol
CID 92368
((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methanol
CID 83757
Hmmm TP363
CID 20318181
Hmmm TP349
CID 20484942
1-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)methylamino)methanol
CID 152134
Hmmm TP339
CID 156601173
Hmmm TP325
CID 156601174
Hmmm TP383
CID 156601175
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Methanol, 1,1',1'',1''',1'''',1'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakis-, trimethyl ether
CID 57603619

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (CID 22762270) is N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The canonical SMILES for N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is CN(C)c1nc(N(C=O)CO)nc(N(CO)CO)n1.
What is the InChIKey of N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The InChIKey is YNSOGWZCJUQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O4/c1-13(2)7-10-8(14(3-16)4-17)12-9(11-7)15(5-18)6-19/h3,17-19H,4-6H2,1-2H3.
What are the key properties of N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide has a molecular weight of 272.27 g/mol, XLogP of -2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is sourced from PubChem (CID 22762270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).