7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H18N6O — CID 66282120

IUPAC7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN1CCC(Nc2cc3n[nH]c(=O)n3cn2)CC1
InChIInChI=1S/C12H18N6O/c1-2-17-5-3-9(4-6-17)14-10-7-11-15-16-12(19)18(11)8-13-10/h7-9,14H,2-6H2,1H3,(H,16,19)
InChIKeyMADNBDUXZJUZJL-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.31
Rot. Bonds3

About 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282120) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282120
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN1CCC(Nc2cc3n[nH]c(=O)n3cn2)CC1
InChIInChI=1S/C12H18N6O/c1-2-17-5-3-9(4-6-17)14-10-7-11-15-16-12(19)18(11)8-13-10/h7-9,14H,2-6H2,1H3,(H,16,19)
InChIKeyMADNBDUXZJUZJL-UHFFFAOYSA-N
XLogP0.31
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282120) is 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCN1CCC(Nc2cc3n[nH]c(=O)n3cn2)CC1.
What is the InChIKey of 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MADNBDUXZJUZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-17-5-3-9(4-6-17)14-10-7-11-15-16-12(19)18(11)8-13-10/h7-9,14H,2-6H2,1H3,(H,16,19).
What are the key properties of 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).