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

C7H7N5O — CID 20813

IUPAC6-(furan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C7H7N5O/c8-6-10-5(11-7(9)12-6)4-2-1-3-13-4/h1-3H,(H4,8,9,10,11,12)
InChIKeyZIXSZSGPTZTMBU-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.30
Rot. Bonds1

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

6-(furan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 20813) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID20813
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name6-(furan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C7H7N5O/c8-6-10-5(11-7(9)12-6)4-2-1-3-13-4/h1-3H,(H4,8,9,10,11,12)
InChIKeyZIXSZSGPTZTMBU-UHFFFAOYSA-N
XLogP0.30
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine (CID 20813) is 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccco2)n1.
What is the InChIKey of 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZIXSZSGPTZTMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-6-10-5(11-7(9)12-6)4-2-1-3-13-4/h1-3H,(H4,8,9,10,11,12).
What are the key properties of 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(furan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 177.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).