5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C18H19ClN8O2 — CID 11316898

IUPAC5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1
InChIKeyOVXMBPFNWCSOMP-LLVKDONJSA-N
MW414.86 g/mol
LogP2.68
Rot. Bonds6

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

5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 11316898) has the molecular formula C18H19ClN8O2 and a molecular weight of 414.86 g/mol. Its IUPAC name is 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID11316898
Molecular FormulaC18H19ClN8O2
Molecular Weight414.86 g/mol
Exact Mass414.13
IUPAC Name5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1
InChIKeyOVXMBPFNWCSOMP-LLVKDONJSA-N
XLogP2.68
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-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 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 11316898) is 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-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-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is OVXMBPFNWCSOMP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1.
What are the key properties of 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 414.86 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[(2R)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 11316898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).