5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one

C9H16N4O — CID 89355939

IUPAC5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1NC1CCNCC1
InChIInChI=1S/C9H16N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,11,13)(H,12,14)
InChIKeySTQNMCGERRKGIK-UHFFFAOYSA-N
MW196.25 g/mol
LogP-1.14
Rot. Bonds1

About 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one

5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 89355939) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID89355939
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1NC1CCNCC1
InChIInChI=1S/C9H16N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,11,13)(H,12,14)
InChIKeySTQNMCGERRKGIK-UHFFFAOYSA-N
XLogP-1.14
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one (CID 89355939) is 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1NC1CCNCC1.
What is the InChIKey of 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is STQNMCGERRKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one?
5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 196.25 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 89355939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).