(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C18H17N5O — CID 71931138

IUPAC(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESNc1nccnc1C(=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C18H17N5O/c19-17-15(20-8-9-21-17)18(24)23-12-11-22-10-4-7-14(22)16(23)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,19,21)
InChIKeyTXTFPDPDTIQCJS-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.11
Rot. Bonds2

About (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 71931138) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID71931138
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESNc1nccnc1C(=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C18H17N5O/c19-17-15(20-8-9-21-17)18(24)23-12-11-22-10-4-7-14(22)16(23)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,19,21)
InChIKeyTXTFPDPDTIQCJS-UHFFFAOYSA-N
XLogP2.11
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 71931138) is (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Nc1nccnc1C(=O)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is TXTFPDPDTIQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-15(20-8-9-21-17)18(24)23-12-11-22-10-4-7-14(22)16(23)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,19,21).
What are the key properties of (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 71931138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).