5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C14H17N7O — CID 15729970

IUPAC5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20)
InChIKeyKTRATDJORYAFKA-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.11
Rot. Bonds3

About 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 15729970) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID15729970
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20)
InChIKeyKTRATDJORYAFKA-UHFFFAOYSA-N
XLogP2.11
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 15729970) is 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is KTRATDJORYAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20).
What are the key properties of 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 299.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 15729970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).