N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide

C15H13N5O2S — CID 3991385

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O
InChIInChI=1S/C15H13N5O2S/c1-20-14(22)10-5-3-2-4-9(10)11(19-20)12(21)16-15-18-17-13(23-15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,16,18,21)
InChIKeyRAAFANQBVHOUNG-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.91
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 3991385) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID3991385
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O
InChIInChI=1S/C15H13N5O2S/c1-20-14(22)10-5-3-2-4-9(10)11(19-20)12(21)16-15-18-17-13(23-15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,16,18,21)
InChIKeyRAAFANQBVHOUNG-UHFFFAOYSA-N
XLogP1.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 3991385) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is RAAFANQBVHOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-20-14(22)10-5-3-2-4-9(10)11(19-20)12(21)16-15-18-17-13(23-15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,16,18,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3991385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).