2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one

C15H15N5O — CID 103057042

IUPAC2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one
SMILESCCNc1cnc(Cn2ncc3ccccc3c2=O)cn1
InChIInChI=1S/C15H15N5O/c1-2-16-14-9-17-12(8-18-14)10-20-15(21)13-6-4-3-5-11(13)7-19-20/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyJHEPCDMAYKZGDO-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.67
Rot. Bonds4

About 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one

2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one (PubChem CID 103057042) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one
PubChem CID103057042
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one
SMILESCCNc1cnc(Cn2ncc3ccccc3c2=O)cn1
InChIInChI=1S/C15H15N5O/c1-2-16-14-9-17-12(8-18-14)10-20-15(21)13-6-4-3-5-11(13)7-19-20/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyJHEPCDMAYKZGDO-UHFFFAOYSA-N
XLogP1.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one
CID 103057043
N-ethyl-5-(indazol-1-ylmethyl)pyrazin-2-amine
CID 103057204
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
2-[(4-chloro-2-pyridinyl)methyl]phthalazin-1-one
CID 79256195
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
CID 16782938
2-[2-(ethylamino)butyl]phthalazin-1-one
CID 62041212
2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one
CID 62465075
2-[(2,6-dichloro-3-pyridinyl)methyl]phthalazin-1-one
CID 106994017
2-[[2-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyrimidin-4-yl]methyl]phthalazin-1-one
CID 92612468
2-(5-chloropentyl)phthalazin-1-one
CID 43348317

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one (CID 103057042) is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one is CCNc1cnc(Cn2ncc3ccccc3c2=O)cn1.
What is the InChIKey of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The InChIKey is JHEPCDMAYKZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-16-14-9-17-12(8-18-14)10-20-15(21)13-6-4-3-5-11(13)7-19-20/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one has a molecular weight of 281.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one is sourced from PubChem (CID 103057042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).