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

C17H23N7O — CID 127035833

IUPAC7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyGWHGVYPWMAAHQK-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.34
Rot. Bonds5

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

7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 127035833) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID127035833
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyGWHGVYPWMAAHQK-UHFFFAOYSA-N
XLogP3.34
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 127035833) is 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is GWHGVYPWMAAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23).
What are the key properties of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 341.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 127035833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).