6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione

C8H11N3O2 — CID 20644435

IUPAC6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione
SMILESCn1[nH]c(=O)c2c(c1=O)CCCN2
InChIInChI=1S/C8H11N3O2/c1-11-8(13)5-3-2-4-9-6(5)7(12)10-11/h9H,2-4H2,1H3,(H,10,12)
InChIKeyKXJZOHBUKZVKQW-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.57
Rot. Bonds

About 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione

6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione (PubChem CID 20644435) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione.

Molecular Properties

Compound Name6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione
PubChem CID20644435
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione
SMILESCn1[nH]c(=O)c2c(c1=O)CCCN2
InChIInChI=1S/C8H11N3O2/c1-11-8(13)5-3-2-4-9-6(5)7(12)10-11/h9H,2-4H2,1H3,(H,10,12)
InChIKeyKXJZOHBUKZVKQW-UHFFFAOYSA-N
XLogP-0.57
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 84649764
6,19,32,45,58,71,84,88-octamethyl-2,6,10,15,19,23,28,32,36,41,45,58,71,84,88,92-hexadecazaoctacyclo[91.2.0.011,14.024,27.037,40.050,53.063,66.076,79]pentanonaconta-1(93),11(14),24(27),37(40),50(53),63(66),76(79)-heptaene-12,13,25,26,38,39,51,52,64,65,77,78,94,95-tetradecone
CID 58529196
6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone
CID 58529200
CID 159244934
CID 159244934
2-methyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 82413792
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914
6,19,32,45,58,71,84-heptamethyl-2,6,10,15,19,23,28,32,36,41,45,49,54,58,62,67,71,75,80,84,88-henicosazaoctacyclo[87.2.0.011,14.024,27.037,40.050,53.063,66.076,79]hennonaconta-1(89),11(14),24(27),37(40),50(53),63(66),76(79)-heptaene-12,13,25,26,38,39,51,52,64,65,77,78,90,91-tetradecone
CID 71467249
ethane;pyrrolidin-2-one
CID 54451151
5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 103585426
8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 10125215
6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 75532115
8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751889

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione?
The IUPAC name of 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione (CID 20644435) is 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione.
What is the SMILES notation for 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione?
The canonical SMILES for 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione is Cn1[nH]c(=O)c2c(c1=O)CCCN2.
What is the InChIKey of 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione?
The InChIKey is KXJZOHBUKZVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-8(13)5-3-2-4-9-6(5)7(12)10-11/h9H,2-4H2,1H3,(H,10,12).
What are the key properties of 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione?
6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione has a molecular weight of 181.19 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazine-5,8-dione is sourced from PubChem (CID 20644435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).