3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one

C14H21N3O — CID 62939320

IUPAC3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NC2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C14H21N3O/c18-14-13(15-9-10-17(14)12-7-8-12)16-11-5-3-1-2-4-6-11/h9-12H,1-8H2,(H,15,16)
InChIKeyKICVWZWKSFXWKK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds3

About 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one

3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one (PubChem CID 62939320) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one
PubChem CID62939320
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NC2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C14H21N3O/c18-14-13(15-9-10-17(14)12-7-8-12)16-11-5-3-1-2-4-6-11/h9-12H,1-8H2,(H,15,16)
InChIKeyKICVWZWKSFXWKK-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one (CID 62939320) is 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one is O=c1c(NC2CCCCCC2)nccn1C1CC1.
What is the InChIKey of 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one?
The InChIKey is KICVWZWKSFXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-13(15-9-10-17(14)12-7-8-12)16-11-5-3-1-2-4-6-11/h9-12H,1-8H2,(H,15,16).
What are the key properties of 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one?
3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62939320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).