6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C16H22N6 — CID 166543174

IUPAC6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncncc2C1.CN1CCc2nnccc2C1
InChIInChI=1S/2C8H11N3/c1-11-5-3-8-7(6-11)2-4-9-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8/h2,4H,3,5-6H2,1H3;4,6H,2-3,5H2,1H3
InChIKeyAMSVSOZWDKZZHM-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.93
Rot. Bonds

About 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 166543174) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID166543174
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncncc2C1.CN1CCc2nnccc2C1
InChIInChI=1S/2C8H11N3/c1-11-5-3-8-7(6-11)2-4-9-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8/h2,4H,3,5-6H2,1H3;4,6H,2-3,5H2,1H3
InChIKeyAMSVSOZWDKZZHM-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 166543174) is 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2ncncc2C1.CN1CCc2nnccc2C1.
What is the InChIKey of 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AMSVSOZWDKZZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N3/c1-11-5-3-8-7(6-11)2-4-9-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8/h2,4H,3,5-6H2,1H3;4,6H,2-3,5H2,1H3.
What are the key properties of 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166543174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).