3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one

C14H22N4O — CID 63258585

IUPAC3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNC1CCCCCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H22N4O/c15-11-4-2-1-3-5-12(11)17-13-14(19)18(9-8-16-13)10-6-7-10/h8-12H,1-7,15H2,(H,16,17)
InChIKeyOXKBMHOCKPWOSY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.65
Rot. Bonds3

About 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one

3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one (PubChem CID 63258585) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one
PubChem CID63258585
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNC1CCCCCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H22N4O/c15-11-4-2-1-3-5-12(11)17-13-14(19)18(9-8-16-13)10-6-7-10/h8-12H,1-7,15H2,(H,16,17)
InChIKeyOXKBMHOCKPWOSY-UHFFFAOYSA-N
XLogP1.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one (CID 63258585) is 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one is NC1CCCCCC1Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one?
The InChIKey is OXKBMHOCKPWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-11-4-2-1-3-5-12(11)17-13-14(19)18(9-8-16-13)10-6-7-10/h8-12H,1-7,15H2,(H,16,17).
What are the key properties of 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one?
3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 63258585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).