N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine

C12H10N4O3 — CID 43788098

IUPACN-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
SMILESO=[N+]([O-])c1ccc(CNc2cccc3cn[nH]c23)o1
InChIInChI=1S/C12H10N4O3/c17-16(18)11-5-4-9(19-11)7-13-10-3-1-2-8-6-14-15-12(8)10/h1-6,13H,7H2,(H,14,15)
InChIKeyNQGYDKYEDRTBLO-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.68
Rot. Bonds4

About N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine

N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine (PubChem CID 43788098) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
PubChem CID43788098
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
SMILESO=[N+]([O-])c1ccc(CNc2cccc3cn[nH]c23)o1
InChIInChI=1S/C12H10N4O3/c17-16(18)11-5-4-9(19-11)7-13-10-3-1-2-8-6-14-15-12(8)10/h1-6,13H,7H2,(H,14,15)
InChIKeyNQGYDKYEDRTBLO-UHFFFAOYSA-N
XLogP2.68
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine
CID 43788162
N-benzyl-1H-indazol-7-amine
CID 43730923
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43786255
N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 66387358
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
2,3,5-trifluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 62811041
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
2-fluoro-6-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43778289
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43784052
N-[(5-nitrofuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784440

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine (CID 43788098) is N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine is O=[N+]([O-])c1ccc(CNc2cccc3cn[nH]c23)o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine?
The InChIKey is NQGYDKYEDRTBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-16(18)11-5-4-9(19-11)7-13-10-3-1-2-8-6-14-15-12(8)10/h1-6,13H,7H2,(H,14,15).
What are the key properties of N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine?
N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine has a molecular weight of 258.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43788098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).