6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine

C16H18N4O — CID 107490023

IUPAC6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NCCCOc1ccccc1
InChIInChI=1S/C16H18N4O/c17-14-9-12-11-19-20-15(12)10-16(14)18-7-4-8-21-13-5-2-1-3-6-13/h1-3,5-6,9-11,18H,4,7-8,17H2,(H,19,20)
InChIKeyKRPVQRVKYMCWGH-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.03
Rot. Bonds6

About 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine

6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine (PubChem CID 107490023) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
PubChem CID107490023
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NCCCOc1ccccc1
InChIInChI=1S/C16H18N4O/c17-14-9-12-11-19-20-15(12)10-16(14)18-7-4-8-21-13-5-2-1-3-6-13/h1-3,5-6,9-11,18H,4,7-8,17H2,(H,19,20)
InChIKeyKRPVQRVKYMCWGH-UHFFFAOYSA-N
XLogP3.03
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3-phenoxypropylamino)benzoic acid
CID 62378598
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 62379839
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
CID 107489222
6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
CID 107490352
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine (CID 107490023) is 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NCCCOc1ccccc1.
What is the InChIKey of 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine?
The InChIKey is KRPVQRVKYMCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14-9-12-11-19-20-15(12)10-16(14)18-7-4-8-21-13-5-2-1-3-6-13/h1-3,5-6,9-11,18H,4,7-8,17H2,(H,19,20).
What are the key properties of 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine?
6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine has a molecular weight of 282.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).