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

C9H12N6O — CID 102793159

IUPAC1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(-c3ccon3)n2)C1
InChIInChI=1S/C9H12N6O/c10-6-1-3-15(5-6)9-11-8(12-13-9)7-2-4-16-14-7/h2,4,6H,1,3,5,10H2,(H,11,12,13)
InChIKeyXPPOBFUAXYAHFK-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.00
Rot. Bonds2

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

1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (PubChem CID 102793159) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
PubChem CID102793159
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(-c3ccon3)n2)C1
InChIInChI=1S/C9H12N6O/c10-6-1-3-15(5-6)9-11-8(12-13-9)7-2-4-16-14-7/h2,4,6H,1,3,5,10H2,(H,11,12,13)
InChIKeyXPPOBFUAXYAHFK-UHFFFAOYSA-N
XLogP-0.00
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
CID 167924789
1-[5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 112735580
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125
1-[5-(2,4-dibromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 107938625
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-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(2-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793057

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (CID 102793159) is 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is NC1CCN(c2n[nH]c(-c3ccon3)n2)C1.
What is the InChIKey of 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The InChIKey is XPPOBFUAXYAHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c10-6-1-3-15(5-6)9-11-8(12-13-9)7-2-4-16-14-7/h2,4,6H,1,3,5,10H2,(H,11,12,13).
What are the key properties of 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine has a molecular weight of 220.24 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 102793159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).