1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

C11H15N5O — CID 102793344

IUPAC1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(N3CCC(N)C3)n[nH]2)o1
InChIInChI=1S/C11H15N5O/c1-7-2-3-9(17-7)10-13-11(15-14-10)16-5-4-8(12)6-16/h2-3,8H,4-6,12H2,1H3,(H,13,14,15)
InChIKeyKADAEANGYGJNKX-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.91
Rot. Bonds2

About 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (PubChem CID 102793344) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
PubChem CID102793344
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(N3CCC(N)C3)n[nH]2)o1
InChIInChI=1S/C11H15N5O/c1-7-2-3-9(17-7)10-13-11(15-14-10)16-5-4-8(12)6-16/h2-3,8H,4-6,12H2,1H3,(H,13,14,15)
InChIKeyKADAEANGYGJNKX-UHFFFAOYSA-N
XLogP0.91
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-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

1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976731
1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793159
1-[5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 112735580
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793134
1-[5-(3-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793279
[1-[5-(5-ethylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800681
1-[5-(2-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793057
1-[5-(2,4-dibromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 107938625

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (CID 102793344) is 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is Cc1ccc(-c2nc(N3CCC(N)C3)n[nH]2)o1.
What is the InChIKey of 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The InChIKey is KADAEANGYGJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-2-3-9(17-7)10-13-11(15-14-10)16-5-4-8(12)6-16/h2-3,8H,4-6,12H2,1H3,(H,13,14,15).
What are the key properties of 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine has a molecular weight of 233.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 102793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).