3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole

C12H15N5O2 — CID 10244398

IUPAC3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
SMILESCN1CCN(c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C12H15N5O2/c1-15-4-6-16(7-5-15)12-10-8-9(17(18)19)2-3-11(10)13-14-12/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyYCUIVFAVQPGDQL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.22
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole

3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole (PubChem CID 10244398) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
PubChem CID10244398
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
SMILESCN1CCN(c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C12H15N5O2/c1-15-4-6-16(7-5-15)12-10-8-9(17(18)19)2-3-11(10)13-14-12/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyYCUIVFAVQPGDQL-UHFFFAOYSA-N
XLogP1.22
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
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

5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-1H-indazole
CID 162715701
lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 69188513
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
4-(4-methylpiperazin-1-yl)-3,6-dinitrochromen-2-one
CID 3471221
3-(4-ethylpiperazin-1-yl)-5-iodo-1H-indazole
CID 58042236
3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole (CID 10244398) is 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole is CN1CCN(c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole?
The InChIKey is YCUIVFAVQPGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-15-4-6-16(7-5-15)12-10-8-9(17(18)19)2-3-11(10)13-14-12/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole?
3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole has a molecular weight of 261.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole is sourced from PubChem (CID 10244398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).