3-(propan-2-ylamino)-1-propylpyrazin-2-one

C10H17N3O — CID 53015090

IUPAC3-(propan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-6-13-7-5-11-9(10(13)14)12-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyDPEJOLQBVLLUOF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds4

About 3-(propan-2-ylamino)-1-propylpyrazin-2-one

3-(propan-2-ylamino)-1-propylpyrazin-2-one (PubChem CID 53015090) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-propylpyrazin-2-one
PubChem CID53015090
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(propan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-6-13-7-5-11-9(10(13)14)12-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyDPEJOLQBVLLUOF-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(propan-2-ylamino)-1-propylpyrazin-2-one (CID 53015090) is 3-(propan-2-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)C)c1=O.
What is the InChIKey of 3-(propan-2-ylamino)-1-propylpyrazin-2-one?
The InChIKey is DPEJOLQBVLLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-6-13-7-5-11-9(10(13)14)12-8(2)3/h5,7-8H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 3-(propan-2-ylamino)-1-propylpyrazin-2-one?
3-(propan-2-ylamino)-1-propylpyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 53015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).