1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C14H15N3O — CID 138387186

IUPAC1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC12CC1CN(C(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C14H15N3O/c1-14-6-9(14)7-17(8-14)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyNEGRIJHAZVSOEV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.04
Rot. Bonds1

About 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 138387186) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID138387186
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC12CC1CN(C(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C14H15N3O/c1-14-6-9(14)7-17(8-14)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyNEGRIJHAZVSOEV-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 138387186) is 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is CC12CC1CN(C(=O)c1n[nH]c3ccccc13)C2.
What is the InChIKey of 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is NEGRIJHAZVSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14-6-9(14)7-17(8-14)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 138387186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).