2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine

C6H12N6O3 — CID 174110169

IUPAC2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=COCCO
InChIInChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;4-1-2-6-3-5/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyGEIIEEFDAZLGRQ-UHFFFAOYSA-N
MW216.20 g/mol
LogP-2.23
Rot. Bonds3

About 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine

2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174110169) has the molecular formula C6H12N6O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine
PubChem CID174110169
Molecular FormulaC6H12N6O3
Molecular Weight216.20 g/mol
Exact Mass216.10
IUPAC Name2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=COCCO
InChIInChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;4-1-2-6-3-5/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyGEIIEEFDAZLGRQ-UHFFFAOYSA-N
XLogP-2.23
TPSA163.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine (CID 174110169) is 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=COCCO.
What is the InChIKey of 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is GEIIEEFDAZLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;4-1-2-6-3-5/h(H6,4,5,6,7,8,9);3-4H,1-2H2.
What are the key properties of 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine?
2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 216.20 g/mol, XLogP of -2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174110169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).