8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C13H8ClN5O2 — CID 110170648

IUPAC8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1nc(-c2ccco2)nc2c(Cl)c(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O2/c14-9-10(7-3-1-5-20-7)18-19-12(9)16-11(17-13(19)15)8-4-2-6-21-8/h1-6H,(H2,15,16,17)
InChIKeyVSLFMRMDEDXRPV-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.88
Rot. Bonds2

About 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 110170648) has the molecular formula C13H8ClN5O2 and a molecular weight of 301.69 g/mol. Its IUPAC name is 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID110170648
Molecular FormulaC13H8ClN5O2
Molecular Weight301.69 g/mol
Exact Mass301.04
IUPAC Name8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1nc(-c2ccco2)nc2c(Cl)c(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O2/c14-9-10(7-3-1-5-20-7)18-19-12(9)16-11(17-13(19)15)8-4-2-6-21-8/h1-6H,(H2,15,16,17)
InChIKeyVSLFMRMDEDXRPV-UHFFFAOYSA-N
XLogP2.88
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10587109
4-(furan-2-yl)-11-methyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 57402117
4-(furan-2-yl)-3,5,6,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-7-amine
CID 14458845
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
11-(furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine
CID 57391694
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
7-amino-4-(furan-2-yl)-10-propyl-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one
CID 151983863
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
CID 54258007
4-(furan-2-yl)-1,3-oxazol-5-amine
CID 96636219

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 110170648) is 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Nc1nc(-c2ccco2)nc2c(Cl)c(-c3ccco3)nn12.
What is the InChIKey of 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VSLFMRMDEDXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O2/c14-9-10(7-3-1-5-20-7)18-19-12(9)16-11(17-13(19)15)8-4-2-6-21-8/h1-6H,(H2,15,16,17).
What are the key properties of 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 301.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 110170648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).