2-N-ethoxy-1,3,5-triazine-2,4,6-triamine

C5H10N6O — CID 21271806

IUPAC2-N-ethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCONc1nc(N)nc(N)n1
InChIInChI=1S/C5H10N6O/c1-2-12-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H5,6,7,8,9,10,11)
InChIKeyFQXIZBKIBCUNNO-UHFFFAOYSA-N
MW170.18 g/mol
LogP-0.60
Rot. Bonds3

About 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine

2-N-ethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 21271806) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID21271806
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name2-N-ethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCONc1nc(N)nc(N)n1
InChIInChI=1S/C5H10N6O/c1-2-12-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H5,6,7,8,9,10,11)
InChIKeyFQXIZBKIBCUNNO-UHFFFAOYSA-N
XLogP-0.60
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
2,4-Diamino-6-butoxy-s-triazine
CID 32856
s-Triazine, 4,6-diamino-2-isobutoxy-
CID 34083
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
N2-Methoxy-1,3,5-triazine-2,4,6-triamine
CID 11400900
6-Ethoxy-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 45091341
4,6-Diethoxy-1,3,5-triazin-2-amine
CID 35395
2-N,2-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11435367
2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11458114
4-Ethoxy-6-methoxy-1,3,5-triazin-2-amine
CID 12318225

Frequently Asked Questions

What is the IUPAC name of 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine (CID 21271806) is 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine is CCONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FQXIZBKIBCUNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-2-12-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H5,6,7,8,9,10,11).
What are the key properties of 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine?
2-N-ethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 170.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21271806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).