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

C6H14N6O — CID 67878234

IUPACpropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4/h(H6,4,5,6,7,8,9);3-4H,1-2H3
InChIKeyDSGMEPKBWWLLIJ-UHFFFAOYSA-N
MW186.22 g/mol
LogP-0.99
Rot. Bonds

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

propan-2-ol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67878234) has the molecular formula C6H14N6O and a molecular weight of 186.22 g/mol. Its IUPAC name is propan-2-ol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepropan-2-ol;1,3,5-triazine-2,4,6-triamine
PubChem CID67878234
Molecular FormulaC6H14N6O
Molecular Weight186.22 g/mol
Exact Mass186.12
IUPAC Namepropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4/h(H6,4,5,6,7,8,9);3-4H,1-2H3
InChIKeyDSGMEPKBWWLLIJ-UHFFFAOYSA-N
XLogP-0.99
TPSA136.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of propan-2-ol;1,3,5-triazine-2,4,6-triamine (CID 67878234) is propan-2-ol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for propan-2-ol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for propan-2-ol;1,3,5-triazine-2,4,6-triamine is CC(C)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of propan-2-ol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DSGMEPKBWWLLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H8O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4/h(H6,4,5,6,7,8,9);3-4H,1-2H3.
What are the key properties of propan-2-ol;1,3,5-triazine-2,4,6-triamine?
propan-2-ol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 186.22 g/mol, XLogP of -0.99, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67878234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).