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

C14H16ClN7O — CID 15729995

IUPAC2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC2CCCCC2)nc2nc(-c3ccc(Cl)o3)nn12
InChIInChI=1S/C14H16ClN7O/c15-10-7-6-9(23-10)11-18-14-20-13(19-12(16)22(14)21-11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,16,17,18,19,20,21)
InChIKeyWDISTYDSVSGKFW-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.76
Rot. Bonds3

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

2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 15729995) has the molecular formula C14H16ClN7O and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID15729995
Molecular FormulaC14H16ClN7O
Molecular Weight333.78 g/mol
Exact Mass333.11
IUPAC Name2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC2CCCCC2)nc2nc(-c3ccc(Cl)o3)nn12
InChIInChI=1S/C14H16ClN7O/c15-10-7-6-9(23-10)11-18-14-20-13(19-12(16)22(14)21-11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,16,17,18,19,20,21)
InChIKeyWDISTYDSVSGKFW-UHFFFAOYSA-N
XLogP2.76
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 15729995) is 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Nc1nc(NC2CCCCC2)nc2nc(-c3ccc(Cl)o3)nn12.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is WDISTYDSVSGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7O/c15-10-7-6-9(23-10)11-18-14-20-13(19-12(16)22(14)21-11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H3,16,17,18,19,20,21).
What are the key properties of 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 333.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-5-N-cyclohexyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 15729995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).