6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

C16H22N6O2 — CID 167908758

IUPAC6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCOCc1nc([C@H]2CN(c3ccc(=O)n(C)n3)C[C@@H]2C2CC2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-21-15(23)6-5-14(20-21)22-7-11(10-3-4-10)12(8-22)16-17-13(9-24-2)18-19-16/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,17,18,19)/t11-,12+/m1/s1
InChIKeyOVPPQJCCMCCCFD-NEPJUHHUSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds5

About 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 167908758) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
PubChem CID167908758
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCOCc1nc([C@H]2CN(c3ccc(=O)n(C)n3)C[C@@H]2C2CC2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-21-15(23)6-5-14(20-21)22-7-11(10-3-4-10)12(8-22)16-17-13(9-24-2)18-19-16/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,17,18,19)/t11-,12+/m1/s1
InChIKeyOVPPQJCCMCCCFD-NEPJUHHUSA-N
XLogP0.67
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (CID 167908758) is 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is COCc1nc([C@H]2CN(c3ccc(=O)n(C)n3)C[C@@H]2C2CC2)n[nH]1.
What is the InChIKey of 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is OVPPQJCCMCCCFD-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-15(23)6-5-14(20-21)22-7-11(10-3-4-10)12(8-22)16-17-13(9-24-2)18-19-16/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,17,18,19)/t11-,12+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 167908758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).