3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine

C18H22N4 — CID 123458939

IUPAC3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine
SMILESCCc1nn(C)c2cc(NC(C)c3ccccc3)c(N)cc12
InChIInChI=1S/C18H22N4/c1-4-16-14-10-15(19)17(11-18(14)22(3)21-16)20-12(2)13-8-6-5-7-9-13/h5-12,20H,4,19H2,1-3H3
InChIKeyAKLQLBAPNGUOOA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.89
Rot. Bonds4

About 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine

3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine (PubChem CID 123458939) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine
PubChem CID123458939
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine
SMILESCCc1nn(C)c2cc(NC(C)c3ccccc3)c(N)cc12
InChIInChI=1S/C18H22N4/c1-4-16-14-10-15(19)17(11-18(14)22(3)21-16)20-12(2)13-8-6-5-7-9-13/h5-12,20H,4,19H2,1-3H3
InChIKeyAKLQLBAPNGUOOA-UHFFFAOYSA-N
XLogP3.89
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine?
The IUPAC name of 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine (CID 123458939) is 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine?
The canonical SMILES for 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine is CCc1nn(C)c2cc(NC(C)c3ccccc3)c(N)cc12.
What is the InChIKey of 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine?
The InChIKey is AKLQLBAPNGUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-4-16-14-10-15(19)17(11-18(14)22(3)21-16)20-12(2)13-8-6-5-7-9-13/h5-12,20H,4,19H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine?
3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine is sourced from PubChem (CID 123458939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).