(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine

C17H19N7O — CID 59341805

IUPAC(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)C1
InChIInChI=1S/C17H19N7O/c18-13-3-5-23(10-13)15-8-19-16-17(20-15)24(22-21-16)9-11-1-2-14-12(7-11)4-6-25-14/h1-2,7-8,13H,3-6,9-10,18H2/t13-/m1/s1
InChIKeyUWCDVSOUPTYUDR-CYBMUJFWSA-N
MW337.39 g/mol
LogP0.74
Rot. Bonds3

About (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine

(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine (PubChem CID 59341805) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
PubChem CID59341805
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)C1
InChIInChI=1S/C17H19N7O/c18-13-3-5-23(10-13)15-8-19-16-17(20-15)24(22-21-16)9-11-1-2-14-12(7-11)4-6-25-14/h1-2,7-8,13H,3-6,9-10,18H2/t13-/m1/s1
InChIKeyUWCDVSOUPTYUDR-CYBMUJFWSA-N
XLogP0.74
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
CID 24884478
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 154580971
3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
CID 59341952
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
CID 94531051
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 138988946
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine (CID 59341805) is (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)C1.
What is the InChIKey of (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The InChIKey is UWCDVSOUPTYUDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N7O/c18-13-3-5-23(10-13)15-8-19-16-17(20-15)24(22-21-16)9-11-1-2-14-12(7-11)4-6-25-14/h1-2,7-8,13H,3-6,9-10,18H2/t13-/m1/s1.
What are the key properties of (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine has a molecular weight of 337.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 59341805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).