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

C8H18N6O2 — CID 69017050

IUPACbutoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H12O2.C3H6N6/c1-2-3-4-7-5-6;4-1-7-2(5)9-3(6)8-1/h6H,2-5H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyKVJUGZFHTJFFTF-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.63
Rot. Bonds4

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

butoxymethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 69017050) has the molecular formula C8H18N6O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is butoxymethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutoxymethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID69017050
Molecular FormulaC8H18N6O2
Molecular Weight230.27 g/mol
Exact Mass230.15
IUPAC Namebutoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H12O2.C3H6N6/c1-2-3-4-7-5-6;4-1-7-2(5)9-3(6)8-1/h6H,2-5H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyKVJUGZFHTJFFTF-UHFFFAOYSA-N
XLogP-0.63
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxymethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butoxymethanol;1,3,5-triazine-2,4,6-triamine (CID 69017050) is butoxymethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butoxymethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butoxymethanol;1,3,5-triazine-2,4,6-triamine is CCCCOCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of butoxymethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KVJUGZFHTJFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C3H6N6/c1-2-3-4-7-5-6;4-1-7-2(5)9-3(6)8-1/h6H,2-5H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of butoxymethanol;1,3,5-triazine-2,4,6-triamine?
butoxymethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).