3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole

C12H14N2O3 — CID 118717006

IUPAC3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole
SMILESCOc1c2cc3c(cc2nn1C(C)C)OCO3
InChIInChI=1S/C12H14N2O3/c1-7(2)14-12(15-3)8-4-10-11(17-6-16-10)5-9(8)13-14/h4-5,7H,6H2,1-3H3
InChIKeyNNOMKKKYJOZSSJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.35
Rot. Bonds2

About 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole

3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole (PubChem CID 118717006) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole.

Molecular Properties

Compound Name3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole
PubChem CID118717006
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole
SMILESCOc1c2cc3c(cc2nn1C(C)C)OCO3
InChIInChI=1S/C12H14N2O3/c1-7(2)14-12(15-3)8-4-10-11(17-6-16-10)5-9(8)13-14/h4-5,7H,6H2,1-3H3
InChIKeyNNOMKKKYJOZSSJ-UHFFFAOYSA-N
XLogP2.35
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845
12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene
CID 118717013
3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol
CID 155753497
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145734
4-oxo-1-propan-2-yl-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide
CID 20505050
6,8-dimethyl-7-oxido-[1,3]dioxolo[4,5-g]quinazolin-7-ium
CID 102138218
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 69078378
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole?
The IUPAC name of 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole (CID 118717006) is 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole.
What is the SMILES notation for 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole?
The canonical SMILES for 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole is COc1c2cc3c(cc2nn1C(C)C)OCO3.
What is the InChIKey of 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole?
The InChIKey is NNOMKKKYJOZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)14-12(15-3)8-4-10-11(17-6-16-10)5-9(8)13-14/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole?
3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole has a molecular weight of 234.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole is sourced from PubChem (CID 118717006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).