6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine

C10H18N6O5 — CID 174906007

IUPAC6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)CCCCC(=O)OCO
InChIInChI=1S/C7H12O5.C3H6N6/c8-5-12-7(11)4-2-1-3-6(9)10;4-1-7-2(5)9-3(6)8-1/h8H,1-5H2,(H,9,10);(H6,4,5,6,7,8,9)
InChIKeyUOSWOYCWAOGSHN-UHFFFAOYSA-N
MW302.29 g/mol
LogP-1.26
Rot. Bonds6

About 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine

6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 174906007) has the molecular formula C10H18N6O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID174906007
Molecular FormulaC10H18N6O5
Molecular Weight302.29 g/mol
Exact Mass302.13
IUPAC Name6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)CCCCC(=O)OCO
InChIInChI=1S/C7H12O5.C3H6N6/c8-5-12-7(11)4-2-1-3-6(9)10;4-1-7-2(5)9-3(6)8-1/h8H,1-5H2,(H,9,10);(H6,4,5,6,7,8,9)
InChIKeyUOSWOYCWAOGSHN-UHFFFAOYSA-N
XLogP-1.26
TPSA200.56 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(hydroxymethyl) hexanedioate
CID 22892542
bis(hydroxymethyl) pentanedioate
CID 56975769
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
CID 173386370
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
hydroxymethyl nonanoate
CID 118275970
hydroxymethyl tetratriacontanoate
CID 141312892
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
23-ethoxy-23-oxotricosanoic acid
CID 67326593
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine (CID 174906007) is 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)CCCCC(=O)OCO.
What is the InChIKey of 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is UOSWOYCWAOGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5.C3H6N6/c8-5-12-7(11)4-2-1-3-6(9)10;4-1-7-2(5)9-3(6)8-1/h8H,1-5H2,(H,9,10);(H6,4,5,6,7,8,9).
What are the key properties of 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine?
6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 302.29 g/mol, XLogP of -1.26, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).