N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide

C22H15N5O — CID 7532319

IUPACN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H15N5O/c28-22(19-7-3-5-15-4-1-2-6-18(15)19)24-17-10-8-16(9-11-17)20-12-13-21-25-23-14-27(21)26-20/h1-14H,(H,24,28)
InChIKeyNDBLQAMMJCTQMN-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.20
Rot. Bonds3

About N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 7532319) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
PubChem CID7532319
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H15N5O/c28-22(19-7-3-5-15-4-1-2-6-18(15)19)24-17-10-8-16(9-11-17)20-12-13-21-25-23-14-27(21)26-20/h1-14H,(H,24,28)
InChIKeyNDBLQAMMJCTQMN-UHFFFAOYSA-N
XLogP4.20
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
2-ethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532321
6-oxo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036697
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532242
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036605
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
CID 7593425

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide (CID 7532319) is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is NDBLQAMMJCTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c28-22(19-7-3-5-15-4-1-2-6-18(15)19)24-17-10-8-16(9-11-17)20-12-13-21-25-23-14-27(21)26-20/h1-14H,(H,24,28).
What are the key properties of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide?
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7532319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).