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

C6H15N7O — CID 121232523

IUPAC1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCC(O)CN.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H9NO/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3,5H,2,4H2,1H3
InChIKeyKVOKPLHQNFFUOE-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.06
Rot. Bonds1

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

1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine (PubChem CID 121232523) has the molecular formula C6H15N7O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine
PubChem CID121232523
Molecular FormulaC6H15N7O
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Name1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCC(O)CN.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H9NO/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3,5H,2,4H2,1H3
InChIKeyKVOKPLHQNFFUOE-UHFFFAOYSA-N
XLogP-2.06
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine (CID 121232523) is 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine is CC(O)CN.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KVOKPLHQNFFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H9NO/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine?
1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 201.23 g/mol, XLogP of -2.06, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 121232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).