2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

C11H13N3O — CID 106548695

IUPAC2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCc1cnn(CC2(CC#N)CC2)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-9-6-10(15)14(13-7-9)8-11(2-3-11)4-5-12/h6-7H,2-4,8H2,1H3
InChIKeyCBTXMJUPTBIDSW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.25
Rot. Bonds3

About 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 106548695) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID106548695
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCc1cnn(CC2(CC#N)CC2)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-9-6-10(15)14(13-7-9)8-11(2-3-11)4-5-12/h6-7H,2-4,8H2,1H3
InChIKeyCBTXMJUPTBIDSW-UHFFFAOYSA-N
XLogP1.25
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 106548695) is 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is Cc1cnn(CC2(CC#N)CC2)c(=O)c1.
What is the InChIKey of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is CBTXMJUPTBIDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-6-10(15)14(13-7-9)8-11(2-3-11)4-5-12/h6-7H,2-4,8H2,1H3.
What are the key properties of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 106548695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).