5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine

C11H14N6 — CID 77043310

IUPAC5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
SMILESNC1CC(c2nc(-c3ccccc3)n[nH]2)NN1
InChIInChI=1S/C11H14N6/c12-9-6-8(14-15-9)11-13-10(16-17-11)7-4-2-1-3-5-7/h1-5,8-9,14-15H,6,12H2,(H,13,16,17)
InChIKeyVFDMUDKGQLSFEM-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.30
Rot. Bonds2

About 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine

5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine (PubChem CID 77043310) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine.

Molecular Properties

Compound Name5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
PubChem CID77043310
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
SMILESNC1CC(c2nc(-c3ccccc3)n[nH]2)NN1
InChIInChI=1S/C11H14N6/c12-9-6-8(14-15-9)11-13-10(16-17-11)7-4-2-1-3-5-7/h1-5,8-9,14-15H,6,12H2,(H,13,16,17)
InChIKeyVFDMUDKGQLSFEM-UHFFFAOYSA-N
XLogP0.30
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 174707588
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine
CID 62697473
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
5-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 127712850
(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120873617
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine?
The IUPAC name of 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine (CID 77043310) is 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine.
What is the SMILES notation for 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine?
The canonical SMILES for 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine is NC1CC(c2nc(-c3ccccc3)n[nH]2)NN1.
What is the InChIKey of 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine?
The InChIKey is VFDMUDKGQLSFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-9-6-8(14-15-9)11-13-10(16-17-11)7-4-2-1-3-5-7/h1-5,8-9,14-15H,6,12H2,(H,13,16,17).
What are the key properties of 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine?
5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine has a molecular weight of 230.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine is sourced from PubChem (CID 77043310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).