N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine

C11H14N4O2 — CID 118096232

IUPACN-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
SMILESCC(C)N(C)c1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O2/c1-7(2)14(3)10-5-9-8(6-12-13-9)4-11(10)15(16)17/h4-7H,1-3H3,(H,12,13)
InChIKeySOCWCFSNKBRVLH-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine

N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine (PubChem CID 118096232) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
PubChem CID118096232
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
SMILESCC(C)N(C)c1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O2/c1-7(2)14(3)10-5-9-8(6-12-13-9)4-11(10)15(16)17/h4-7H,1-3H3,(H,12,13)
InChIKeySOCWCFSNKBRVLH-UHFFFAOYSA-N
XLogP2.32
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Related Compounds

N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
CID 118096113
5-nitro-1H-indazole-6-sulfonic acid
CID 142741949
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
5-nitro-6-pyrazol-1-yl-1H-indazole
CID 164801978
4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol
CID 118226468
2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
CID 90010714
7-nitro-1H-indazol-5-amine
CID 74892019
6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine
CID 107490152
2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid
CID 118095906
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344445

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine?
The IUPAC name of N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine (CID 118096232) is N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine.
What is the SMILES notation for N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine?
The canonical SMILES for N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine is CC(C)N(C)c1cc2[nH]ncc2cc1[N+](=O)[O-].
What is the InChIKey of N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine?
The InChIKey is SOCWCFSNKBRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(2)14(3)10-5-9-8(6-12-13-9)4-11(10)15(16)17/h4-7H,1-3H3,(H,12,13).
What are the key properties of N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine?
N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine has a molecular weight of 234.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine is sourced from PubChem (CID 118096232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).