2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole

C11H18N2O — CID 145431107

IUPAC2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole
SMILESCC(C)OC1CCc2cn(C)nc2C1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-5-4-9-7-13(3)12-11(9)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyNBGUDNQMFJWYOS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole

2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole (PubChem CID 145431107) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole
PubChem CID145431107
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole
SMILESCC(C)OC1CCc2cn(C)nc2C1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-5-4-9-7-13(3)12-11(9)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyNBGUDNQMFJWYOS-UHFFFAOYSA-N
XLogP1.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole (CID 145431107) is 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole is CC(C)OC1CCc2cn(C)nc2C1.
What is the InChIKey of 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole?
The InChIKey is NBGUDNQMFJWYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)14-10-5-4-9-7-13(3)12-11(9)6-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole?
2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole has a molecular weight of 194.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yloxy-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 145431107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).