5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C19H20ClN9O — CID 44577872

IUPAC5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H20ClN9O/c20-14-9-12(5-6-22-14)11-28-7-1-4-16(28)23-10-15-24-18(21)29-19(25-15)26-17(27-29)13-3-2-8-30-13/h2-3,5-6,8-9,16,23H,1,4,7,10-11H2,(H2,21,24,25,26,27)/t16-/m1/s1
InChIKeyCQNPTEQAAAOVKX-MRXNPFEDSA-N
MW425.88 g/mol
LogP2.12
Rot. Bonds6

About 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 44577872) has the molecular formula C19H20ClN9O and a molecular weight of 425.88 g/mol. Its IUPAC name is 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID44577872
Molecular FormulaC19H20ClN9O
Molecular Weight425.88 g/mol
Exact Mass425.15
IUPAC Name5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H20ClN9O/c20-14-9-12(5-6-22-14)11-28-7-1-4-16(28)23-10-15-24-18(21)29-19(25-15)26-17(27-29)13-3-2-8-30-13/h2-3,5-6,8-9,16,23H,1,4,7,10-11H2,(H2,21,24,25,26,27)/t16-/m1/s1
InChIKeyCQNPTEQAAAOVKX-MRXNPFEDSA-N
XLogP2.12
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 44577872) is 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is CQNPTEQAAAOVKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN9O/c20-14-9-12(5-6-22-14)11-28-7-1-4-16(28)23-10-15-24-18(21)29-19(25-15)26-17(27-29)13-3-2-8-30-13/h2-3,5-6,8-9,16,23H,1,4,7,10-11H2,(H2,21,24,25,26,27)/t16-/m1/s1.
What are the key properties of 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 425.88 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]amino]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 44577872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).