2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

C11H13N3O2 — CID 105061792

IUPAC2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(=O)n(CC2(CC#N)CC2)n1
InChIInChI=1S/C11H13N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-6,8H2,1H3
InChIKeyYMICIBWVMPXJFJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.95
Rot. Bonds4

About 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 105061792) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID105061792
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(=O)n(CC2(CC#N)CC2)n1
InChIInChI=1S/C11H13N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-6,8H2,1H3
InChIKeyYMICIBWVMPXJFJ-UHFFFAOYSA-N
XLogP0.95
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 105061792) is 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is COc1ccc(=O)n(CC2(CC#N)CC2)n1.
What is the InChIKey of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is YMICIBWVMPXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-6,8H2,1H3.
What are the key properties of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 219.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 105061792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).