3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol

C11H21N5O2 — CID 140991041

IUPAC3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1ncnc(NC(C)C(C)O)n1
InChIInChI=1S/C11H21N5O2/c1-6(8(3)17)14-10-12-5-13-11(16-10)15-7(2)9(4)18/h5-9,17-18H,1-4H3,(H2,12,13,14,15,16)
InChIKeyZTHRNSOUDBXRSS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.23
Rot. Bonds6

About 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol

3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol (PubChem CID 140991041) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol
PubChem CID140991041
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1ncnc(NC(C)C(C)O)n1
InChIInChI=1S/C11H21N5O2/c1-6(8(3)17)14-10-12-5-13-11(16-10)15-7(2)9(4)18/h5-9,17-18H,1-4H3,(H2,12,13,14,15,16)
InChIKeyZTHRNSOUDBXRSS-UHFFFAOYSA-N
XLogP0.23
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol?
The IUPAC name of 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol (CID 140991041) is 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol is CC(O)C(C)Nc1ncnc(NC(C)C(C)O)n1.
What is the InChIKey of 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol?
The InChIKey is ZTHRNSOUDBXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-6(8(3)17)14-10-12-5-13-11(16-10)15-7(2)9(4)18/h5-9,17-18H,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol?
3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol has a molecular weight of 255.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 140991041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).