1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole

C23H23N9O4 — CID 160502763

IUPAC1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole
SMILESCn1ncc2ccc(N)cc21.Cn1ncc2ccc([N+](=O)[O-])cc21.O=[N+]([O-])c1ccc2cn[nH]c2c1.[H][H]
InChIInChI=1S/C8H7N3O2.C8H9N3.C7H5N3O2.H2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10;1-11-8-4-7(9)3-2-6(8)5-10-11;11-10(12)6-2-1-5-4-8-9-7(5)3-6;/h2-5H,1H3;2-5H,9H2,1H3;1-4H,(H,8,9);1H
InChIKeyQRZPQLRSTVGOLV-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.35
Rot. Bonds2

About 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole

1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole (PubChem CID 160502763) has the molecular formula C23H23N9O4 and a molecular weight of 489.50 g/mol. Its IUPAC name is 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole.

Molecular Properties

Compound Name1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole
PubChem CID160502763
Molecular FormulaC23H23N9O4
Molecular Weight489.50 g/mol
Exact Mass489.19
IUPAC Name1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole
SMILESCn1ncc2ccc(N)cc21.Cn1ncc2ccc([N+](=O)[O-])cc21.O=[N+]([O-])c1ccc2cn[nH]c2c1.[H][H]
InChIInChI=1S/C8H7N3O2.C8H9N3.C7H5N3O2.H2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10;1-11-8-4-7(9)3-2-6(8)5-10-11;11-10(12)6-2-1-5-4-8-9-7(5)3-6;/h2-5H,1H3;2-5H,9H2,1H3;1-4H,(H,8,9);1H
InChIKeyQRZPQLRSTVGOLV-UHFFFAOYSA-N
XLogP4.35
TPSA176.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N,N-dimethylpropan-1-amine;1-[3-(dimethylamino)propyl]indazol-6-amine;2-N-[1-[3-(dimethylamino)propyl]indazol-6-yl]-4-N-methylpyrimidine-2,4-diamine;N,N-dimethyl-3-(6-nitroindazol-1-yl)propan-1-amine;6-nitro-1H-indazole;hydrochloride
CID 158639130
1-butyl-6-nitroindazole
CID 155169975
1-ethylindol-6-amine;1-ethyl-6-nitroindole
CID 159386864
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
2-(1H-indazol-6-yl)-7-nitroquinazoline
CID 170422945
tert-butyl 6-aminoindole-1-carboxylate;tert-butyl 6-nitroindole-1-carboxylate;molecular hydrogen
CID 158779488
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288
6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 79233120
8-nitrotetracen-2-amine
CID 101022943
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418

Frequently Asked Questions

What is the IUPAC name of 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole?
The IUPAC name of 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole (CID 160502763) is 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole.
What is the SMILES notation for 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole?
The canonical SMILES for 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole is Cn1ncc2ccc(N)cc21.Cn1ncc2ccc([N+](=O)[O-])cc21.O=[N+]([O-])c1ccc2cn[nH]c2c1.[H][H].
What is the InChIKey of 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole?
The InChIKey is QRZPQLRSTVGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.C8H9N3.C7H5N3O2.H2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10;1-11-8-4-7(9)3-2-6(8)5-10-11;11-10(12)6-2-1-5-4-8-9-7(5)3-6;/h2-5H,1H3;2-5H,9H2,1H3;1-4H,(H,8,9);1H.
What are the key properties of 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole?
1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole has a molecular weight of 489.50 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindazol-6-amine;1-methyl-6-nitroindazole;molecular hydrogen;6-nitro-1H-indazole is sourced from PubChem (CID 160502763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).