tert-butyl 3-amino-6-methylindazole-1-carboxylate

C13H17N3O2 — CID 71659334

IUPACtert-butyl 3-amino-6-methylindazole-1-carboxylate
SMILESCc1ccc2c(N)nn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C13H17N3O2/c1-8-5-6-9-10(7-8)16(15-11(9)14)12(17)18-13(2,3)4/h5-7H,1-4H3,(H2,14,15)
InChIKeyTZZUJGNPAAISRL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.71
Rot. Bonds

About tert-butyl 3-amino-6-methylindazole-1-carboxylate

tert-butyl 3-amino-6-methylindazole-1-carboxylate (PubChem CID 71659334) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl 3-amino-6-methylindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-6-methylindazole-1-carboxylate
PubChem CID71659334
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl 3-amino-6-methylindazole-1-carboxylate
SMILESCc1ccc2c(N)nn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C13H17N3O2/c1-8-5-6-9-10(7-8)16(15-11(9)14)12(17)18-13(2,3)4/h5-7H,1-4H3,(H2,14,15)
InChIKeyTZZUJGNPAAISRL-UHFFFAOYSA-N
XLogP2.71
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
CID 70660035
tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
CID 70982737
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-methylindazole-1-carboxylate
CID 70660042
tert-butyl 3-amino-6-(2-chloro-4-fluoroanilino)indazole-1-carboxylate
CID 166969178
tert-butyl 3-amino-6-[(2-chloro-6-fluorophenyl)methyl]indazole-1-carboxylate
CID 163666539
tert-butyl 6-amino-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate
CID 162715858
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
tert-butyl 3-(3-carbamoylphenyl)-5-methylindazole-1-carboxylate
CID 155410624
(2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
CID 174159570
tert-butyl 3-amino-6-[(1'S,3R)-4-tert-butyl-5-methoxy-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]indazole-1-carboxylate
CID 175973416
2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
CID 174218287
3-amino-5-methylindazole-1-carboxylic acid
CID 21409246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-6-methylindazole-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-6-methylindazole-1-carboxylate (CID 71659334) is tert-butyl 3-amino-6-methylindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-6-methylindazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-6-methylindazole-1-carboxylate is Cc1ccc2c(N)nn(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 3-amino-6-methylindazole-1-carboxylate?
The InChIKey is TZZUJGNPAAISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-5-6-9-10(7-8)16(15-11(9)14)12(17)18-13(2,3)4/h5-7H,1-4H3,(H2,14,15).
What are the key properties of tert-butyl 3-amino-6-methylindazole-1-carboxylate?
tert-butyl 3-amino-6-methylindazole-1-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-6-methylindazole-1-carboxylate is sourced from PubChem (CID 71659334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).