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

C14H13N5O — CID 103057043

IUPAC2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one
SMILESCNc1cnc(Cn2ncc3ccccc3c2=O)cn1
InChIInChI=1S/C14H13N5O/c1-15-13-8-16-11(7-17-13)9-19-14(20)12-5-3-2-4-10(12)6-18-19/h2-8H,9H2,1H3,(H,15,17)
InChIKeyOKXFTGREIZNJOP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.28
Rot. Bonds3

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

2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one (PubChem CID 103057043) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one
PubChem CID103057043
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one
SMILESCNc1cnc(Cn2ncc3ccccc3c2=O)cn1
InChIInChI=1S/C14H13N5O/c1-15-13-8-16-11(7-17-13)9-19-14(20)12-5-3-2-4-10(12)6-18-19/h2-8H,9H2,1H3,(H,15,17)
InChIKeyOKXFTGREIZNJOP-UHFFFAOYSA-N
XLogP1.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(ethylamino)pyrazin-2-yl]methyl]phthalazin-1-one
CID 103057042
2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one
CID 62465075
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
2-[(4-chloro-2-pyridinyl)methyl]phthalazin-1-one
CID 79256195
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
CID 16782938
N-ethyl-5-(indazol-1-ylmethyl)pyrazin-2-amine
CID 103057204
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
CID 103057413
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-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one (CID 103057043) is 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one is CNc1cnc(Cn2ncc3ccccc3c2=O)cn1.
What is the InChIKey of 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
The InChIKey is OKXFTGREIZNJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-15-13-8-16-11(7-17-13)9-19-14(20)12-5-3-2-4-10(12)6-18-19/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one?
2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one has a molecular weight of 267.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)pyrazin-2-yl]methyl]phthalazin-1-one is sourced from PubChem (CID 103057043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).