5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine

C13H17N3 — CID 177282934

IUPAC5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine
SMILESCC(C)c1cc2cnncc2c(C(C)C)n1
InChIInChI=1S/C13H17N3/c1-8(2)12-5-10-6-14-15-7-11(10)13(16-12)9(3)4/h5-9H,1-4H3
InChIKeyHLGVIRRMQBVZOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine

5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine (PubChem CID 177282934) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine
PubChem CID177282934
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine
SMILESCC(C)c1cc2cnncc2c(C(C)C)n1
InChIInChI=1S/C13H17N3/c1-8(2)12-5-10-6-14-15-7-11(10)13(16-12)9(3)4/h5-9H,1-4H3
InChIKeyHLGVIRRMQBVZOJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-tri(propan-2-yl)pyrazine
CID 58164581
5,7-di(propan-2-yl)thieno[2,3-c]pyridine
CID 166928796
2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
CID 90442279
4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 177282951
ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine
CID 144749665
5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 167420618
2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
CID 59224821
4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
CID 177282838
4,6-di(propan-2-yl)triazolo[1,5-a]pyrazine
CID 177282830
4-methyl-6,8-di(propan-2-yl)pyrano[2,3-c]pyridin-2-one
CID 67551515
N,3-di(propan-2-yl)-2,6-naphthyridin-1-amine
CID 20626410
1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline
CID 155733442

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine?
The IUPAC name of 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine (CID 177282934) is 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine is CC(C)c1cc2cnncc2c(C(C)C)n1.
What is the InChIKey of 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine?
The InChIKey is HLGVIRRMQBVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)12-5-10-6-14-15-7-11(10)13(16-12)9(3)4/h5-9H,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine?
5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 177282934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).