butan-1-ol;1,3,5-triazine-2,4,6-triamine

C7H16N6O — CID 67768036

IUPACbutan-1-ol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyJOVMFYYOLSEUML-UHFFFAOYSA-N
MW200.25 g/mol
LogP-0.60
Rot. Bonds2

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

butan-1-ol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67768036) has the molecular formula C7H16N6O and a molecular weight of 200.25 g/mol. Its IUPAC name is butan-1-ol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutan-1-ol;1,3,5-triazine-2,4,6-triamine
PubChem CID67768036
Molecular FormulaC7H16N6O
Molecular Weight200.25 g/mol
Exact Mass200.14
IUPAC Namebutan-1-ol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyJOVMFYYOLSEUML-UHFFFAOYSA-N
XLogP-0.60
TPSA136.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-6-butoxy-s-triazine
CID 32856
Formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
CID 6455823
Butane-1,4-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 44146408
1-Butoxybutane;1,3,5-triazine-2,4,6-triamine
CID 18927919
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
2-N-butoxy-1,3,5-triazine-2,4,6-triamine
CID 19364611
Ethanol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765947
Butan-1-ol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 19765948
Butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765949
Tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
CID 19767295
4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]oxybutan-1-ol
CID 20088357
2-Methylpropan-1-ol;1,3,5-triazine-2,4,6-triamine
CID 20459132

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butan-1-ol;1,3,5-triazine-2,4,6-triamine (CID 67768036) is butan-1-ol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butan-1-ol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butan-1-ol;1,3,5-triazine-2,4,6-triamine is CCCCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of butan-1-ol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JOVMFYYOLSEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of butan-1-ol;1,3,5-triazine-2,4,6-triamine?
butan-1-ol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 200.25 g/mol, XLogP of -0.60, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67768036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).