N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine

C13H11N5O2 — CID 133425970

IUPACN-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
SMILESCc1cc([N+](=O)[O-])cnc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H11N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-2-3-12-9(5-10)6-15-17-12/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyNMNYZRGAOVSPID-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.92
Rot. Bonds3

About N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine

N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine (PubChem CID 133425970) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
PubChem CID133425970
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
SMILESCc1cc([N+](=O)[O-])cnc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H11N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-2-3-12-9(5-10)6-15-17-12/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyNMNYZRGAOVSPID-UHFFFAOYSA-N
XLogP2.92
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.92
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-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
3-N-(3-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 55081029
2-methyl-4-[(3-methyl-5-nitro-2-pyridinyl)amino]benzoic acid
CID 62476845
N-(4-bromo-3-methoxyphenyl)-3-methyl-5-nitropyridin-2-amine
CID 133428545
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
CID 67995863
2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
CID 67995775
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine?
The IUPAC name of N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine (CID 133425970) is N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine?
The canonical SMILES for N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine is Cc1cc([N+](=O)[O-])cnc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine?
The InChIKey is NMNYZRGAOVSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-2-3-12-9(5-10)6-15-17-12/h2-7H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine?
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine has a molecular weight of 269.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine is sourced from PubChem (CID 133425970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).