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

C53H75Cl2N19O4 — CID 158639130

IUPAC3-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
SMILESCN(C)CCCCl.CN(C)CCCn1ncc2ccc(N)cc21.CN(C)CCCn1ncc2ccc([N+](=O)[O-])cc21.CNc1ccnc(Nc2ccc3cnn(CCCN(C)C)c3c2)n1.Cl.O=[N+]([O-])c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H23N7.C12H16N4O2.C12H18N4.C7H5N3O2.C5H12ClN.ClH/c1-18-16-7-8-19-17(22-16)21-14-6-5-13-12-20-24(15(13)11-14)10-4-9-23(2)3;1-14(2)6-3-7-15-12-8-11(16(17)18)5-4-10(12)9-13-15;1-15(2)6-3-7-16-12-8-11(13)5-4-10(12)9-14-16;11-10(12)6-2-1-5-4-8-9-7(5)3-6;1-7(2)5-3-4-6;/h5-8,11-12H,4,9-10H2,1-3H3,(H2,18,19,21,22);4-5,8-9H,3,6-7H2,1-2H3;4-5,8-9H,3,6-7,13H2,1-2H3;1-4H,(H,8,9);3-5H2,1-2H3;1H
InChIKeyUTNWQKLOUXZXIC-UHFFFAOYSA-N
MW1113.22 g/mol
LogP9.10
Rot. Bonds20

About 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

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 (PubChem CID 158639130) has the molecular formula C53H75Cl2N19O4 and a molecular weight of 1113.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158639130
Molecular FormulaC53H75Cl2N19O4
Molecular Weight1113.22 g/mol
Exact Mass1111.56
IUPAC Name3-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
SMILESCN(C)CCCCl.CN(C)CCCn1ncc2ccc(N)cc21.CN(C)CCCn1ncc2ccc([N+](=O)[O-])cc21.CNc1ccnc(Nc2ccc3cnn(CCCN(C)C)c3c2)n1.Cl.O=[N+]([O-])c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H23N7.C12H16N4O2.C12H18N4.C7H5N3O2.C5H12ClN.ClH/c1-18-16-7-8-19-17(22-16)21-14-6-5-13-12-20-24(15(13)11-14)10-4-9-23(2)3;1-14(2)6-3-7-15-12-8-11(16(17)18)5-4-10(12)9-13-15;1-15(2)6-3-7-16-12-8-11(13)5-4-10(12)9-14-16;11-10(12)6-2-1-5-4-8-9-7(5)3-6;1-7(2)5-3-4-6;/h5-8,11-12H,4,9-10H2,1-3H3,(H2,18,19,21,22);4-5,8-9H,3,6-7H2,1-2H3;4-5,8-9H,3,6-7,13H2,1-2H3;1-4H,(H,8,9);3-5H2,1-2H3;1H
InChIKeyUTNWQKLOUXZXIC-UHFFFAOYSA-N
XLogP9.10
TPSA257.24 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.22
LogP ≤ 59.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-N-(3-imidazol-1-ylpropyl)-2-N-(1H-indazol-6-yl)-3-nitropyridine-2,6-diamine
CID 67995533
6-N-(1-imidazol-1-ylpropyl)-2-N-(1H-indazol-6-yl)-3-nitropyridine-2,6-diamine
CID 67995536
2-chloro-N,N-dimethylethanamine;2-chloro-N-methylpyrimidin-4-amine;2-[2-(dimethylamino)ethyl]indazol-6-amine;2-N-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-4-N-methylpyrimidine-2,4-diamine;N,N-dimethyl-2-(6-nitroindazol-2-yl)ethanamine;6-nitro-1H-indazole;hydrochloride
CID 157839800
N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride
CID 158094156
N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride
CID 159737901
tert-butyl 5-aminoindazole-1-carboxylate;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 5-nitroindazole-1-carboxylate;2,4-dichloropyrimidine;methane;5-nitro-1H-indazole
CID 160380371
2-chloro-N-methylethanamine;2-chloro-N-methylpyrimidin-4-amine;2-[2-(dimethylamino)ethyl]indazol-6-amine;2-N-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-4-N-methylpyrimidine-2,4-diamine;N,N-dimethyl-2-(6-nitroindazol-2-yl)ethanamine;methane;6-nitro-1H-indazole;hydrochloride
CID 160741519
3-chloro-N,N-dimethylpropan-1-amine;2-N-[3-[3-(dimethylamino)propylamino]-4-methanimidoylphenyl]-4-N-methylpyrimidine-2,4-diamine;3-N-[3-(dimethylamino)propyl]-4-methanimidoylbenzene-1,3-diamine;N,N-dimethyl-3-(6-nitroindazol-1-yl)propan-1-amine;6-nitro-1H-indazole;hydrochloride
CID 162052801
N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;methane;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride
CID 169430142

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCCl.CN(C)CCCn1ncc2ccc(N)cc21.CN(C)CCCn1ncc2ccc([N+](=O)[O-])cc21.CNc1ccnc(Nc2ccc3cnn(CCCN(C)C)c3c2)n1.Cl.O=[N+]([O-])c1ccc2cn[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is UTNWQKLOUXZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7.C12H16N4O2.C12H18N4.C7H5N3O2.C5H12ClN.ClH/c1-18-16-7-8-19-17(22-16)21-14-6-5-13-12-20-24(15(13)11-14)10-4-9-23(2)3;1-14(2)6-3-7-15-12-8-11(16(17)18)5-4-10(12)9-13-15;1-15(2)6-3-7-16-12-8-11(13)5-4-10(12)9-14-16;11-10(12)6-2-1-5-4-8-9-7(5)3-6;1-7(2)5-3-4-6;/h5-8,11-12H,4,9-10H2,1-3H3,(H2,18,19,21,22);4-5,8-9H,3,6-7H2,1-2H3;4-5,8-9H,3,6-7,13H2,1-2H3;1-4H,(H,8,9);3-5H2,1-2H3;1H.
What are the key properties of 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?
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 has a molecular weight of 1113.22 g/mol, XLogP of 9.10, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158639130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).