1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea

C18H20N6O2 — CID 166348983

IUPAC1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea
SMILESCc1nccnc1C(C)NC(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H20N6O2/c1-11-16(20-9-8-19-11)12(2)22-18(26)21-10-15-13-6-4-5-7-14(13)17(25)24(3)23-15/h4-9,12H,10H2,1-3H3,(H2,21,22,26)
InChIKeyLZCWAJBBBHOLQU-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.59
Rot. Bonds4

About 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea

1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea (PubChem CID 166348983) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea
PubChem CID166348983
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea
SMILESCc1nccnc1C(C)NC(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H20N6O2/c1-11-16(20-9-8-19-11)12(2)22-18(26)21-10-15-13-6-4-5-7-14(13)17(25)24(3)23-15/h4-9,12H,10H2,1-3H3,(H2,21,22,26)
InChIKeyLZCWAJBBBHOLQU-UHFFFAOYSA-N
XLogP1.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea?
The IUPAC name of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea (CID 166348983) is 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea?
The canonical SMILES for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea is Cc1nccnc1C(C)NC(=O)NCc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea?
The InChIKey is LZCWAJBBBHOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-16(20-9-8-19-11)12(2)22-18(26)21-10-15-13-6-4-5-7-14(13)17(25)24(3)23-15/h4-9,12H,10H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea?
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea has a molecular weight of 352.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea is sourced from PubChem (CID 166348983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).