tert-butyl formate;1H-indazol-3-amine

C12H17N3O2 — CID 174833143

IUPACtert-butyl formate;1H-indazol-3-amine
SMILESCC(C)(C)OC=O.Nc1n[nH]c2ccccc12
InChIInChI=1S/C7H7N3.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H3,8,9,10);4H,1-3H3
InChIKeyKOSWXXOUPZBCQN-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl formate;1H-indazol-3-amine

tert-butyl formate;1H-indazol-3-amine (PubChem CID 174833143) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl formate;1H-indazol-3-amine.

Molecular Properties

Compound Nametert-butyl formate;1H-indazol-3-amine
PubChem CID174833143
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl formate;1H-indazol-3-amine
SMILESCC(C)(C)OC=O.Nc1n[nH]c2ccccc12
InChIInChI=1S/C7H7N3.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H3,8,9,10);4H,1-3H3
InChIKeyKOSWXXOUPZBCQN-UHFFFAOYSA-N
XLogP2.10
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-indazol-3-amine;methane
CID 143158036
tert-butyl formate;3-[4-(trifluoromethyl)phenyl]-1H-indazole
CID 174630366
tert-butyl formate;3-fluoro-2H-indazole
CID 158237907
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate
CID 174599694
3-[(2-methylpropan-2-yl)oxy]-1H-indazole
CID 146573019
3-(1-bromoethyl)-2H-indazole;tert-butyl formate
CID 174605199
tert-butyl formate;3-phenyl-1H-indazol-6-ol
CID 174616120
tert-butyl formate;1-(5-phenylmethoxy-1H-indazol-3-yl)ethanone
CID 159625660
1H-indazol-3-amine;quinoline
CID 158589437
tert-butyl formate;5-phenoxy-1H-pyrazole
CID 174556121
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
5-(benzenesulfonyl)-1H-indazol-3-amine
CID 66736165

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1H-indazol-3-amine?
The IUPAC name of tert-butyl formate;1H-indazol-3-amine (CID 174833143) is tert-butyl formate;1H-indazol-3-amine.
What is the SMILES notation for tert-butyl formate;1H-indazol-3-amine?
The canonical SMILES for tert-butyl formate;1H-indazol-3-amine is CC(C)(C)OC=O.Nc1n[nH]c2ccccc12.
What is the InChIKey of tert-butyl formate;1H-indazol-3-amine?
The InChIKey is KOSWXXOUPZBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H3,8,9,10);4H,1-3H3.
What are the key properties of tert-butyl formate;1H-indazol-3-amine?
tert-butyl formate;1H-indazol-3-amine has a molecular weight of 235.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1H-indazol-3-amine is sourced from PubChem (CID 174833143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).