7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine

C12H16ClN3 — CID 88508122

IUPAC7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine
SMILESCc1[nH]c2c(Cl)nnc(CC(C)C)c2c1C
InChIInChI=1S/C12H16ClN3/c1-6(2)5-9-10-7(3)8(4)14-11(10)12(13)16-15-9/h6,14H,5H2,1-4H3
InChIKeyUCWQWDGDUKQKNK-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.43
Rot. Bonds2

About 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine

7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine (PubChem CID 88508122) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine
PubChem CID88508122
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine
SMILESCc1[nH]c2c(Cl)nnc(CC(C)C)c2c1C
InChIInChI=1S/C12H16ClN3/c1-6(2)5-9-10-7(3)8(4)14-11(10)12(13)16-15-9/h6,14H,5H2,1-4H3
InChIKeyUCWQWDGDUKQKNK-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine?
The IUPAC name of 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine (CID 88508122) is 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine?
The canonical SMILES for 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine is Cc1[nH]c2c(Cl)nnc(CC(C)C)c2c1C.
What is the InChIKey of 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine?
The InChIKey is UCWQWDGDUKQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-6(2)5-9-10-7(3)8(4)14-11(10)12(13)16-15-9/h6,14H,5H2,1-4H3.
What are the key properties of 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine?
7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine has a molecular weight of 237.73 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 88508122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).