2-butoxyethanol;1,3,5-triazine-2,4,6-triamine

C9H20N6O2 — CID 67825454

IUPAC2-butoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O2.C3H6N6/c1-2-3-5-8-6-4-7;4-1-7-2(5)9-3(6)8-1/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyMCGDERMPNDNOHB-UHFFFAOYSA-N
MW244.30 g/mol
LogP-0.59
Rot. Bonds5

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

2-butoxyethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67825454) has the molecular formula C9H20N6O2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-butoxyethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID67825454
Molecular FormulaC9H20N6O2
Molecular Weight244.30 g/mol
Exact Mass244.16
IUPAC Name2-butoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O2.C3H6N6/c1-2-3-5-8-6-4-7;4-1-7-2(5)9-3(6)8-1/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyMCGDERMPNDNOHB-UHFFFAOYSA-N
XLogP-0.59
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine (CID 67825454) is 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine is CCCCOCCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is MCGDERMPNDNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H6N6/c1-2-3-5-8-6-4-7;4-1-7-2(5)9-3(6)8-1/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine?
2-butoxyethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 244.30 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67825454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).