6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine

C14H22N4O — CID 107489655

IUPAC6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
SMILESCCC(C)N(CCOC)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H22N4O/c1-4-10(2)18(5-6-19-3)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyVIRYCOMZNBZACR-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.40
Rot. Bonds6

About 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine

6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine (PubChem CID 107489655) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
PubChem CID107489655
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
SMILESCCC(C)N(CCOC)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H22N4O/c1-4-10(2)18(5-6-19-3)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyVIRYCOMZNBZACR-UHFFFAOYSA-N
XLogP2.40
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
CID 107489686
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
CID 107491495
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine (CID 107489655) is 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine is CCC(C)N(CCOC)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine?
The InChIKey is VIRYCOMZNBZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-10(2)18(5-6-19-3)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine?
6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).