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

C8H18N6O — CID 70305563

IUPAC1-methoxybutane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H12O.C3H6N6/c1-3-4-5-6-2;4-1-7-2(5)9-3(6)8-1/h3-5H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyQVSYJAGIXXERKX-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.05
Rot. Bonds3

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

1-methoxybutane;1,3,5-triazine-2,4,6-triamine (PubChem CID 70305563) has the molecular formula C8H18N6O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methoxybutane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-methoxybutane;1,3,5-triazine-2,4,6-triamine
PubChem CID70305563
Molecular FormulaC8H18N6O
Molecular Weight214.27 g/mol
Exact Mass214.15
IUPAC Name1-methoxybutane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H12O.C3H6N6/c1-3-4-5-6-2;4-1-7-2(5)9-3(6)8-1/h3-5H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyQVSYJAGIXXERKX-UHFFFAOYSA-N
XLogP0.05
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methoxybutane;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

Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
s-Triazine, 4,6-diamino-2-hexoxy-
CID 32220
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-pentoxy-
CID 35117
s-Triazine, 4,6-diamino-2-isobutoxy-
CID 34083
6-(Heptyloxy)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 116004
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-methoxybutane;1,3,5-triazine-2,4,6-triamine (CID 70305563) is 1-methoxybutane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-methoxybutane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-methoxybutane;1,3,5-triazine-2,4,6-triamine is CCCCOC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1-methoxybutane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is QVSYJAGIXXERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H6N6/c1-3-4-5-6-2;4-1-7-2(5)9-3(6)8-1/h3-5H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of 1-methoxybutane;1,3,5-triazine-2,4,6-triamine?
1-methoxybutane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70305563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).