ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine

C12H19N3 — CID 144749699

IUPACethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2c[nH]cc12
InChIInChI=1S/C10H13N3.C2H6/c1-6(2)10-9-5-11-4-8(9)7(3)12-13-10;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyOSPNOZLXAXCIEQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.42
Rot. Bonds1

About ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine

ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine (PubChem CID 144749699) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine
PubChem CID144749699
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2c[nH]cc12
InChIInChI=1S/C10H13N3.C2H6/c1-6(2)10-9-5-11-4-8(9)7(3)12-13-10;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyOSPNOZLXAXCIEQ-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine (CID 144749699) is ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine is CC.Cc1nnc(C(C)C)c2c[nH]cc12.
What is the InChIKey of ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine?
The InChIKey is OSPNOZLXAXCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-6(2)10-9-5-11-4-8(9)7(3)12-13-10;1-2/h4-6,11H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine?
ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine has a molecular weight of 205.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yl-6H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 144749699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).