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

C9H22N6O3 — CID 19765949

IUPACbutan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CCCCO.CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O.C3H6N6.CH4O.CH2O/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1;2*1-2/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9);2H,1H3;1H2
InChIKeyXQRCEJBGUXHAHL-UHFFFAOYSA-N
MW262.31 g/mol
LogP-1.18
Rot. Bonds2

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

butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 19765949) has the molecular formula C9H22N6O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
PubChem CID19765949
Molecular FormulaC9H22N6O3
Molecular Weight262.31 g/mol
Exact Mass262.18
IUPAC Namebutan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CCCCO.CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O.C3H6N6.CH4O.CH2O/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1;2*1-2/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9);2H,1H3;1H2
InChIKeyXQRCEJBGUXHAHL-UHFFFAOYSA-N
XLogP-1.18
TPSA174.26 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine (CID 19765949) is butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine is C=O.CCCCO.CO.Nc1nc(N)nc(N)n1.
What is the InChIKey of butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is XQRCEJBGUXHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6N6.CH4O.CH2O/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1;2*1-2/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9);2H,1H3;1H2.
What are the key properties of butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine?
butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 262.31 g/mol, XLogP of -1.18, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19765949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).