2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C24H23N9O — CID 68685821

IUPAC2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CC3CCN(Cc4ccc5ccccc5n4)C3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C24H23N9O/c25-22-28-23(29-24-27-21(30-33(22)24)20-6-3-11-34-20)32-12-16-9-10-31(19(16)14-32)13-17-8-7-15-4-1-2-5-18(15)26-17/h1-8,11,16,19H,9-10,12-14H2,(H2,25,27,28,29,30)
InChIKeyMSEKLMGPGUDEIN-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.62
Rot. Bonds4

About 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 68685821) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID68685821
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CC3CCN(Cc4ccc5ccccc5n4)C3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C24H23N9O/c25-22-28-23(29-24-27-21(30-33(22)24)20-6-3-11-34-20)32-12-16-9-10-31(19(16)14-32)13-17-8-7-15-4-1-2-5-18(15)26-17/h1-8,11,16,19H,9-10,12-14H2,(H2,25,27,28,29,30)
InChIKeyMSEKLMGPGUDEIN-UHFFFAOYSA-N
XLogP2.62
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Related Compounds

2-(furan-2-yl)-5-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69432652
tert-butyl 1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 68685842
5-(2-ethylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69432575
5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11177363
[8-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-1,2,3,4,6,7,9,9a-octahydropyrazino[1,2-a][1,3]azarsinin-3-yl]methanol
CID 173102707
2-(furan-2-yl)-5-[4-[(2,4,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;hydrochloride
CID 11408706
2-(furan-2-yl)-5-[4-[(2,3,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11774744
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 68684893
2-(furan-2-yl)-5-[3-[(4-pyrrol-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 170164174
5-[7-[[bis(furan-2-ylmethyl)amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69278924
5-[4-[(2,4-dichloro-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11224613
5-[3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210560

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 68685821) is 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CC3CCN(Cc4ccc5ccccc5n4)C3C2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is MSEKLMGPGUDEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c25-22-28-23(29-24-27-21(30-33(22)24)20-6-3-11-34-20)32-12-16-9-10-31(19(16)14-32)13-17-8-7-15-4-1-2-5-18(15)26-17/h1-8,11,16,19H,9-10,12-14H2,(H2,25,27,28,29,30).
What are the key properties of 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 453.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 68685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).