3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one

C14H22N4O — CID 55156806

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCN(C3CC3)C2)c1=O
InChIInChI=1S/C14H22N4O/c1-2-7-17-9-6-15-13(14(17)19)16-11-5-8-18(10-11)12-3-4-12/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,16)
InChIKeyVJHQIDIGPYOVCX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds5

About 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one

3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one (PubChem CID 55156806) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
PubChem CID55156806
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCN(C3CC3)C2)c1=O
InChIInChI=1S/C14H22N4O/c1-2-7-17-9-6-15-13(14(17)19)16-11-5-8-18(10-11)12-3-4-12/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,16)
InChIKeyVJHQIDIGPYOVCX-UHFFFAOYSA-N
XLogP1.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one (CID 55156806) is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCN(C3CC3)C2)c1=O.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is VJHQIDIGPYOVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-17-9-6-15-13(14(17)19)16-11-5-8-18(10-11)12-3-4-12/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,16).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 55156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).