(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

C15H19N5O2 — CID 154747915

IUPAC(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
SMILESCc1noc(C(C)C)c1C(=O)N1CCc2nnc(N)cc2C1
InChIInChI=1S/C15H19N5O2/c1-8(2)14-13(9(3)19-22-14)15(21)20-5-4-11-10(7-20)6-12(16)18-17-11/h6,8H,4-5,7H2,1-3H3,(H2,16,18)
InChIKeyJCGRQUXYSAFMCN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.68
Rot. Bonds2

About (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

(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 (PubChem CID 154747915) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154747915
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(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
SMILESCc1noc(C(C)C)c1C(=O)N1CCc2nnc(N)cc2C1
InChIInChI=1S/C15H19N5O2/c1-8(2)14-13(9(3)19-22-14)15(21)20-5-4-11-10(7-20)6-12(16)18-17-11/h6,8H,4-5,7H2,1-3H3,(H2,16,18)
InChIKeyJCGRQUXYSAFMCN-UHFFFAOYSA-N
XLogP1.68
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 71932989
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326894
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
CID 71932991
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634556
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 120747146
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71932996
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 26261127
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
CID 56778204
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 146086580

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc(C(C)C)c1C(=O)N1CCc2nnc(N)cc2C1.
What is the InChIKey of (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?
The InChIKey is JCGRQUXYSAFMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-8(2)14-13(9(3)19-22-14)15(21)20-5-4-11-10(7-20)6-12(16)18-17-11/h6,8H,4-5,7H2,1-3H3,(H2,16,18).
What are the key properties of (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?
(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 has a molecular weight of 301.35 g/mol, XLogP of 1.68, 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)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 154747915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).