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

C6H12N6O2 — CID 174654073

IUPACethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESCCOC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O2/c4-1-7-2(5)9-3(6)8-1;1-2-5-3-4/h(H6,4,5,6,7,8,9);3H,2H2,1H3
InChIKeyTWJJGAQEZRFHBJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.20
Rot. Bonds2

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

ethyl formate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174654073) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is ethyl formate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameethyl formate;1,3,5-triazine-2,4,6-triamine
PubChem CID174654073
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Nameethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESCCOC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O2/c4-1-7-2(5)9-3(6)8-1;1-2-5-3-4/h(H6,4,5,6,7,8,9);3H,2H2,1H3
InChIKeyTWJJGAQEZRFHBJ-UHFFFAOYSA-N
XLogP-1.20
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of ethyl formate;1,3,5-triazine-2,4,6-triamine (CID 174654073) is ethyl formate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for ethyl formate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for ethyl formate;1,3,5-triazine-2,4,6-triamine is CCOC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of ethyl formate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is TWJJGAQEZRFHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H6O2/c4-1-7-2(5)9-3(6)8-1;1-2-5-3-4/h(H6,4,5,6,7,8,9);3H,2H2,1H3.
What are the key properties of ethyl formate;1,3,5-triazine-2,4,6-triamine?
ethyl formate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 200.20 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174654073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).