6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile

C12H14N4O — CID 175927128

IUPAC6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
SMILESCc1nnc(C#N)cc1N1CCOC2(CC2)C1
InChIInChI=1S/C12H14N4O/c1-9-11(6-10(7-13)15-14-9)16-4-5-17-12(8-16)2-3-12/h6H,2-5,8H2,1H3
InChIKeyRGKYEWVEJPVSDU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.03
Rot. Bonds1

About 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile

6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile (PubChem CID 175927128) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
PubChem CID175927128
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
SMILESCc1nnc(C#N)cc1N1CCOC2(CC2)C1
InChIInChI=1S/C12H14N4O/c1-9-11(6-10(7-13)15-14-9)16-4-5-17-12(8-16)2-3-12/h6H,2-5,8H2,1H3
InChIKeyRGKYEWVEJPVSDU-UHFFFAOYSA-N
XLogP1.03
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile (CID 175927128) is 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile is Cc1nnc(C#N)cc1N1CCOC2(CC2)C1.
What is the InChIKey of 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile?
The InChIKey is RGKYEWVEJPVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-11(6-10(7-13)15-14-9)16-4-5-17-12(8-16)2-3-12/h6H,2-5,8H2,1H3.
What are the key properties of 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile?
6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 175927128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).