6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine

C13H20N4O — CID 107489686

IUPAC6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
SMILESCCN(c1cc2[nH]ncc2cc1N)C(C)COC
InChIInChI=1S/C13H20N4O/c1-4-17(9(2)8-18-3)13-6-12-10(5-11(13)14)7-15-16-12/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyIORBKCLPTBYNQP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds5

About 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine

6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine (PubChem CID 107489686) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
PubChem CID107489686
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
SMILESCCN(c1cc2[nH]ncc2cc1N)C(C)COC
InChIInChI=1S/C13H20N4O/c1-4-17(9(2)8-18-3)13-6-12-10(5-11(13)14)7-15-16-12/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyIORBKCLPTBYNQP-UHFFFAOYSA-N
XLogP2.01
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
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-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
CID 107489655
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
CID 107491495
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
CID 107488380
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
methyl 4-amino-3-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 82785013
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine
CID 107490152
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
CID 80815675
2-N-ethyl-6-methoxy-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 55011390
6-N-methyl-6-N-(pyridin-3-ylmethyl)-1H-indazole-5,6-diamine
CID 107488961

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine (CID 107489686) is 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine is CCN(c1cc2[nH]ncc2cc1N)C(C)COC.
What is the InChIKey of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine?
The InChIKey is IORBKCLPTBYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-17(9(2)8-18-3)13-6-12-10(5-11(13)14)7-15-16-12/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine?
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).