ethane;3-methyl-7-nitro-2H-indazole

C12H19N3O2 — CID 143766965

IUPACethane;3-methyl-7-nitro-2H-indazole
SMILESCC.CC.Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C8H7N3O2.2C2H6/c1-5-6-3-2-4-7(11(12)13)8(6)10-9-5;2*1-2/h2-4H,1H3,(H,9,10);2*1-2H3
InChIKeyXQRRUHAVZSTRLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.83
Rot. Bonds1

About ethane;3-methyl-7-nitro-2H-indazole

ethane;3-methyl-7-nitro-2H-indazole (PubChem CID 143766965) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethane;3-methyl-7-nitro-2H-indazole.

Molecular Properties

Compound Nameethane;3-methyl-7-nitro-2H-indazole
PubChem CID143766965
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethane;3-methyl-7-nitro-2H-indazole
SMILESCC.CC.Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C8H7N3O2.2C2H6/c1-5-6-3-2-4-7(11(12)13)8(6)10-9-5;2*1-2/h2-4H,1H3,(H,9,10);2*1-2H3
InChIKeyXQRRUHAVZSTRLE-UHFFFAOYSA-N
XLogP3.83
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
CID 169454030
1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
CID 170818682
4-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
CID 170484352
2,4-dimethyl-8-nitroquinoline
CID 608736
N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
CID 169466269
4-(7-nitro-2H-indazol-3-yl)but-3-enamide
CID 170798723
1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
CID 70911848
3,7-dimethyl-2H-indazole;propane
CID 143828593
1,5,9-trinitrotriphenylene
CID 86227277
3-bromo-2-methyl-7-nitroindazole
CID 12558578
4,5-dinitro-2H-phthalazin-1-one
CID 157320634
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-nitro-2H-indazole?
The IUPAC name of ethane;3-methyl-7-nitro-2H-indazole (CID 143766965) is ethane;3-methyl-7-nitro-2H-indazole.
What is the SMILES notation for ethane;3-methyl-7-nitro-2H-indazole?
The canonical SMILES for ethane;3-methyl-7-nitro-2H-indazole is CC.CC.Cc1[nH]nc2c([N+](=O)[O-])cccc12.
What is the InChIKey of ethane;3-methyl-7-nitro-2H-indazole?
The InChIKey is XQRRUHAVZSTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.2C2H6/c1-5-6-3-2-4-7(11(12)13)8(6)10-9-5;2*1-2/h2-4H,1H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;3-methyl-7-nitro-2H-indazole?
ethane;3-methyl-7-nitro-2H-indazole has a molecular weight of 237.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-nitro-2H-indazole is sourced from PubChem (CID 143766965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).