(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone

C17H15N5O2 — CID 71932989

IUPAC(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1ccc(-c3cnco3)cc1)C2
InChIInChI=1S/C17H15N5O2/c18-16-7-13-9-22(6-5-14(13)20-21-16)17(23)12-3-1-11(2-4-12)15-8-19-10-24-15/h1-4,7-8,10H,5-6,9H2,(H2,18,21)
InChIKeyZFRDGGWZJZGNPH-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds2

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone (PubChem CID 71932989) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
PubChem CID71932989
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1ccc(-c3cnco3)cc1)C2
InChIInChI=1S/C17H15N5O2/c18-16-7-13-9-22(6-5-14(13)20-21-16)17(23)12-3-1-11(2-4-12)15-8-19-10-24-15/h1-4,7-8,10H,5-6,9H2,(H2,18,21)
InChIKeyZFRDGGWZJZGNPH-UHFFFAOYSA-N
XLogP1.91
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
CID 56778296
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71932996
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
[4-(1,3-oxazol-5-yl)phenyl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163318328
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 154747915
[4-(1,3-oxazol-5-yl)phenyl]-(2-phenyl-1,4-oxazepan-4-yl)methanone
CID 138998156
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
CID 56778204
[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 97237412
2-(1,3-benzoxazole-5-carbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706403
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 155505083
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
CID 71932991

Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone (CID 71932989) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone is Nc1cc2c(nn1)CCN(C(=O)c1ccc(-c3cnco3)cc1)C2.
What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The InChIKey is ZFRDGGWZJZGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-16-7-13-9-22(6-5-14(13)20-21-16)17(23)12-3-1-11(2-4-12)15-8-19-10-24-15/h1-4,7-8,10H,5-6,9H2,(H2,18,21).
What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone has a molecular weight of 321.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 71932989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).