(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

C14H15N3O2 — CID 128714957

IUPAC(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3occc3C2)nn1
InChIInChI=1S/C14H15N3O2/c1-10-4-5-12(16-15-10)14(18)17-7-2-3-13-11(9-17)6-8-19-13/h4-6,8H,2-3,7,9H2,1H3
InChIKeyIDWRTRADCBYDGC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.97
Rot. Bonds1

About (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (PubChem CID 128714957) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.

Molecular Properties

Compound Name(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
PubChem CID128714957
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3occc3C2)nn1
InChIInChI=1S/C14H15N3O2/c1-10-4-5-12(16-15-10)14(18)17-7-2-3-13-11(9-17)6-8-19-13/h4-6,8H,2-3,7,9H2,1H3
InChIKeyIDWRTRADCBYDGC-UHFFFAOYSA-N
XLogP1.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone with MolForge

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Related Compounds

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041
[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808667
N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide
CID 126808149
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167859052
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 154841847
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
5,6-dihydro-4H-cyclopenta[b]furan;ethane
CID 91348632
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277

Frequently Asked Questions

What is the IUPAC name of (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The IUPAC name of (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (CID 128714957) is (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.
What is the SMILES notation for (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The canonical SMILES for (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is Cc1ccc(C(=O)N2CCCc3occc3C2)nn1.
What is the InChIKey of (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The InChIKey is IDWRTRADCBYDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-5-12(16-15-10)14(18)17-7-2-3-13-11(9-17)6-8-19-13/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is sourced from PubChem (CID 128714957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).