5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one

C8H14N6O — CID 66275820

IUPAC5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2n[nH]c(N)n2)CCC1=O
InChIInChI=1S/C8H14N6O/c1-14-4-5(2-3-6(14)15)10-8-11-7(9)12-13-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyJAWZIMTZUULAMA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.58
Rot. Bonds2

About 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one

5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one (PubChem CID 66275820) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
PubChem CID66275820
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2n[nH]c(N)n2)CCC1=O
InChIInChI=1S/C8H14N6O/c1-14-4-5(2-3-6(14)15)10-8-11-7(9)12-13-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyJAWZIMTZUULAMA-UHFFFAOYSA-N
XLogP-0.58
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one (CID 66275820) is 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2n[nH]c(N)n2)CCC1=O.
What is the InChIKey of 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is JAWZIMTZUULAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c1-14-4-5(2-3-6(14)15)10-8-11-7(9)12-13-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 66275820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).