[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone

C16H20N6O2 — CID 154576135

IUPAC[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)nn1
InChIInChI=1S/C16H20N6O2/c1-21-9-14(18-20-21)16(23)22-7-6-11(8-22)10-24-15-5-4-13(17-19-15)12-2-3-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyPREFNIZXMJLJHC-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.02
Rot. Bonds5

About [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone

[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 154576135) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID154576135
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)nn1
InChIInChI=1S/C16H20N6O2/c1-21-9-14(18-20-21)16(23)22-7-6-11(8-22)10-24-15-5-4-13(17-19-15)12-2-3-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyPREFNIZXMJLJHC-UHFFFAOYSA-N
XLogP1.02
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone with MolForge

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Related Compounds

[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 154576110
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 154576429
[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 134160986
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615

Frequently Asked Questions

What is the IUPAC name of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 154576135) is [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)nn1.
What is the InChIKey of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is PREFNIZXMJLJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-9-14(18-20-21)16(23)22-7-6-11(8-22)10-24-15-5-4-13(17-19-15)12-2-3-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3.
What are the key properties of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 328.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 154576135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).