6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine

C7H11N5O — CID 112681588

IUPAC6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCOC2)n1
InChIInChI=1S/C7H11N5O/c8-6-10-5(11-7(9)12-6)4-1-2-13-3-4/h4H,1-3H2,(H4,8,9,10,11,12)
InChIKeyHDHCGLOENSOMHX-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.46
Rot. Bonds1

About 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine

6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681588) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112681588
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCOC2)n1
InChIInChI=1S/C7H11N5O/c8-6-10-5(11-7(9)12-6)4-1-2-13-3-4/h4H,1-3H2,(H4,8,9,10,11,12)
InChIKeyHDHCGLOENSOMHX-UHFFFAOYSA-N
XLogP-0.46
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 112681588) is 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCOC2)n1.
What is the InChIKey of 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HDHCGLOENSOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-6-10-5(11-7(9)12-6)4-1-2-13-3-4/h4H,1-3H2,(H4,8,9,10,11,12).
What are the key properties of 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 181.20 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).