butane;formaldehyde;1,3,5-triazine-2,4,6-triamine

C8H18N6O — CID 20512204

IUPACbutane;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CCCC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10.C3H6N6.CH2O/c1-3-4-2;4-1-7-2(5)9-3(6)8-1;1-2/h3-4H2,1-2H3;(H6,4,5,6,7,8,9);1H2
InChIKeyUWAOCYNPXGBJHL-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.24
Rot. Bonds1

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

butane;formaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 20512204) has the molecular formula C8H18N6O and a molecular weight of 214.27 g/mol. Its IUPAC name is butane;formaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutane;formaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID20512204
Molecular FormulaC8H18N6O
Molecular Weight214.27 g/mol
Exact Mass214.15
IUPAC Namebutane;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CCCC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10.C3H6N6.CH2O/c1-3-4-2;4-1-7-2(5)9-3(6)8-1;1-2/h3-4H2,1-2H3;(H6,4,5,6,7,8,9);1H2
InChIKeyUWAOCYNPXGBJHL-UHFFFAOYSA-N
XLogP0.24
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of butane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butane;formaldehyde;1,3,5-triazine-2,4,6-triamine (CID 20512204) is butane;formaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butane;formaldehyde;1,3,5-triazine-2,4,6-triamine is C=O.CCCC.Nc1nc(N)nc(N)n1.
What is the InChIKey of butane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is UWAOCYNPXGBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6N6.CH2O/c1-3-4-2;4-1-7-2(5)9-3(6)8-1;1-2/h3-4H2,1-2H3;(H6,4,5,6,7,8,9);1H2.
What are the key properties of butane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
butane;formaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.27 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane;formaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20512204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).