1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione

C14H14N4O2 — CID 169194488

IUPAC1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione
SMILESCc1n[nH]c(=O)c2cc3c(cc12)n(C)c(=O)n3C1CC1
InChIInChI=1S/C14H14N4O2/c1-7-9-5-11-12(6-10(9)13(19)16-15-7)18(8-3-4-8)14(20)17(11)2/h5-6,8H,3-4H2,1-2H3,(H,16,19)
InChIKeyUUZORLJLLSFIIB-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.22
Rot. Bonds1

About 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione

1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione (PubChem CID 169194488) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione.

Molecular Properties

Compound Name1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione
PubChem CID169194488
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione
SMILESCc1n[nH]c(=O)c2cc3c(cc12)n(C)c(=O)n3C1CC1
InChIInChI=1S/C14H14N4O2/c1-7-9-5-11-12(6-10(9)13(19)16-15-7)18(8-3-4-8)14(20)17(11)2/h5-6,8H,3-4H2,1-2H3,(H,16,19)
InChIKeyUUZORLJLLSFIIB-UHFFFAOYSA-N
XLogP1.22
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione?
The IUPAC name of 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione (CID 169194488) is 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione.
What is the SMILES notation for 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione?
The canonical SMILES for 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione is Cc1n[nH]c(=O)c2cc3c(cc12)n(C)c(=O)n3C1CC1.
What is the InChIKey of 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione?
The InChIKey is UUZORLJLLSFIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-9-5-11-12(6-10(9)13(19)16-15-7)18(8-3-4-8)14(20)17(11)2/h5-6,8H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione?
1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione has a molecular weight of 270.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,5-dimethyl-7H-imidazo[4,5-g]phthalazine-2,8-dione is sourced from PubChem (CID 169194488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).