N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine

C14H12N4O2 — CID 784384

IUPACN-[(2-nitrophenyl)methyl]-1H-indazol-6-amine
SMILESO=[N+]([O-])c1ccccc1CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12N4O2/c19-18(20)14-4-2-1-3-11(14)8-15-12-6-5-10-9-16-17-13(10)7-12/h1-7,9,15H,8H2,(H,16,17)
InChIKeyXRTQBXJXQVCGNY-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.08
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine

N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine (PubChem CID 784384) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-1H-indazol-6-amine
PubChem CID784384
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-[(2-nitrophenyl)methyl]-1H-indazol-6-amine
SMILESO=[N+]([O-])c1ccccc1CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12N4O2/c19-18(20)14-4-2-1-3-11(14)8-15-12-6-5-10-9-16-17-13(10)7-12/h1-7,9,15H,8H2,(H,16,17)
InChIKeyXRTQBXJXQVCGNY-UHFFFAOYSA-N
XLogP3.08
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine (CID 784384) is N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine is O=[N+]([O-])c1ccccc1CNc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine?
The InChIKey is XRTQBXJXQVCGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-18(20)14-4-2-1-3-11(14)8-15-12-6-5-10-9-16-17-13(10)7-12/h1-7,9,15H,8H2,(H,16,17).
What are the key properties of N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine?
N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine has a molecular weight of 268.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 784384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).