1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine

C13H17N5 — CID 130775574

IUPAC1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C13H17N5/c14-13-15-10-18(16-13)12-6-7-17(9-12)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,14,16)
InChIKeyGYKQWLKTSCMAOJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine

1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine (PubChem CID 130775574) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
PubChem CID130775574
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C13H17N5/c14-13-15-10-18(16-13)12-6-7-17(9-12)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,14,16)
InChIKeyGYKQWLKTSCMAOJ-UHFFFAOYSA-N
XLogP1.31
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-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-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130949107
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
CID 58171508
CID 58171508
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine (CID 130775574) is 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine is Nc1ncn(C2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is GYKQWLKTSCMAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-13-15-10-18(16-13)12-6-7-17(9-12)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,14,16).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130775574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).