4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

C19H17N7O2 — CID 2552458

IUPAC4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17N7O2/c1-2-11-25-19(28)16-6-4-3-5-15(16)17(22-25)18(27)21-13-7-9-14(10-8-13)26-12-20-23-24-26/h3-10,12H,2,11H2,1H3,(H,21,27)
InChIKeySRDNXJMKYUZRDV-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.03
Rot. Bonds5

About 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide (PubChem CID 2552458) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
PubChem CID2552458
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17N7O2/c1-2-11-25-19(28)16-6-4-3-5-15(16)17(22-25)18(27)21-13-7-9-14(10-8-13)26-12-20-23-24-26/h3-10,12H,2,11H2,1H3,(H,21,27)
InChIKeySRDNXJMKYUZRDV-UHFFFAOYSA-N
XLogP2.03
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide (CID 2552458) is 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The InChIKey is SRDNXJMKYUZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-2-11-25-19(28)16-6-4-3-5-15(16)17(22-25)18(27)21-13-7-9-14(10-8-13)26-12-20-23-24-26/h3-10,12H,2,11H2,1H3,(H,21,27).
What are the key properties of 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide is sourced from PubChem (CID 2552458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).