3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile

C15H10N6O2 — CID 168655085

IUPAC3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
SMILESN#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccn[nH]1
InChIInChI=1S/C15H10N6O2/c16-7-10-12(11-5-6-18-19-11)20-14(22)8-3-1-2-4-9(8)15(23)21(20)13(10)17/h1-6,12H,17H2,(H,18,19)
InChIKeyVMKUKGRVUKUZEN-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.14
Rot. Bonds1

About 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile

3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile (PubChem CID 168655085) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
PubChem CID168655085
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
SMILESN#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccn[nH]1
InChIInChI=1S/C15H10N6O2/c16-7-10-12(11-5-6-18-19-11)20-14(22)8-3-1-2-4-9(8)15(23)21(20)13(10)17/h1-6,12H,17H2,(H,18,19)
InChIKeyVMKUKGRVUKUZEN-UHFFFAOYSA-N
XLogP0.14
TPSA122.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-(4-methylsulfanylphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 146036378
3-amino-1-[2-[3-[2-(3-amino-2-cyano-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazin-1-yl)phenoxy]propoxy]phenyl]-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 162659217
3-amino-1-butyl-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 134959251
3-amino-1-(2-chloro-6-methoxyquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 71519394
5-(9H-fluoren-9-yl)-1H-pyrazole
CID 68627258
4-(2-acetyl-3-methyl-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazin-1-yl)benzonitrile
CID 102197951
6-methoxy-2-methyl-1-oxo-4-(1H-pyrazol-5-yl)isoquinoline-3-carbonitrile
CID 68717273
2-amino-6-(1,4-dioxo-3H-phthalazin-2-yl)-4-(1H-indol-3-yl)-4H-pyran-3,5-dicarbonitrile
CID 176515782
ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 71519538
1'-amino-5-chloro-2,5',10'-trioxospiro[1H-indole-3,3'-pyrazolo[1,2-b]phthalazine]-2'-carbonitrile
CID 70675439
(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one
CID 70072159
(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 827631

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile?
The IUPAC name of 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile (CID 168655085) is 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile?
The canonical SMILES for 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile is N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccn[nH]1.
What is the InChIKey of 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile?
The InChIKey is VMKUKGRVUKUZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c16-7-10-12(11-5-6-18-19-11)20-14(22)8-3-1-2-4-9(8)15(23)21(20)13(10)17/h1-6,12H,17H2,(H,18,19).
What are the key properties of 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile?
3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile has a molecular weight of 306.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,10-dioxo-1-(1H-pyrazol-5-yl)-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile is sourced from PubChem (CID 168655085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).