3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one

C7H11N5O — CID 165473824

IUPAC3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one
SMILESNc1ncn(C2CCCNC2=O)n1
InChIInChI=1S/C7H11N5O/c8-7-10-4-12(11-7)5-2-1-3-9-6(5)13/h4-5H,1-3H2,(H2,8,11)(H,9,13)
InChIKeyRWHVSYSBSRMESD-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.69
Rot. Bonds1

About 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one

3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one (PubChem CID 165473824) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one
PubChem CID165473824
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one
SMILESNc1ncn(C2CCCNC2=O)n1
InChIInChI=1S/C7H11N5O/c8-7-10-4-12(11-7)5-2-1-3-9-6(5)13/h4-5H,1-3H2,(H2,8,11)(H,9,13)
InChIKeyRWHVSYSBSRMESD-UHFFFAOYSA-N
XLogP-0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one?
The IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one (CID 165473824) is 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one.
What is the SMILES notation for 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one?
The canonical SMILES for 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one is Nc1ncn(C2CCCNC2=O)n1.
What is the InChIKey of 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one?
The InChIKey is RWHVSYSBSRMESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-7-10-4-12(11-7)5-2-1-3-9-6(5)13/h4-5H,1-3H2,(H2,8,11)(H,9,13).
What are the key properties of 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one?
3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one has a molecular weight of 181.20 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one is sourced from PubChem (CID 165473824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).