[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate

C13H18N4O3 — CID 68886544

IUPAC[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)On1nc(N)c2cc(CN)ccc21
InChIInChI=1S/C13H18N4O3/c1-13(2,3)19-12(18)20-17-10-5-4-8(7-14)6-9(10)11(15)16-17/h4-6H,7,14H2,1-3H3,(H2,15,16)
InChIKeyNHXZEXWESWIFFW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.44
Rot. Bonds2

About [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate

[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate (PubChem CID 68886544) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate
PubChem CID68886544
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)On1nc(N)c2cc(CN)ccc21
InChIInChI=1S/C13H18N4O3/c1-13(2,3)19-12(18)20-17-10-5-4-8(7-14)6-9(10)11(15)16-17/h4-6H,7,14H2,1-3H3,(H2,15,16)
InChIKeyNHXZEXWESWIFFW-UHFFFAOYSA-N
XLogP1.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate?
The IUPAC name of [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate (CID 68886544) is [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate.
What is the SMILES notation for [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate?
The canonical SMILES for [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate is CC(C)(C)OC(=O)On1nc(N)c2cc(CN)ccc21.
What is the InChIKey of [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate?
The InChIKey is NHXZEXWESWIFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2,3)19-12(18)20-17-10-5-4-8(7-14)6-9(10)11(15)16-17/h4-6H,7,14H2,1-3H3,(H2,15,16).
What are the key properties of [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate?
[3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate has a molecular weight of 278.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(aminomethyl)indazol-1-yl] tert-butyl carbonate is sourced from PubChem (CID 68886544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).