6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile

C15H20N4 — CID 106709701

IUPAC6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCn1ncc2ccc(N)cc21
InChIInChI=1S/C15H20N4/c1-15(2,11-16)7-3-4-8-19-14-9-13(17)6-5-12(14)10-18-19/h5-6,9-10H,3-4,7-8,17H2,1-2H3
InChIKeyRZJLGYRQNMNTCC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.34
Rot. Bonds5

About 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile

6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile (PubChem CID 106709701) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile
PubChem CID106709701
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCn1ncc2ccc(N)cc21
InChIInChI=1S/C15H20N4/c1-15(2,11-16)7-3-4-8-19-14-9-13(17)6-5-12(14)10-18-19/h5-6,9-10H,3-4,7-8,17H2,1-2H3
InChIKeyRZJLGYRQNMNTCC-UHFFFAOYSA-N
XLogP3.34
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile (CID 106709701) is 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCn1ncc2ccc(N)cc21.
What is the InChIKey of 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile?
The InChIKey is RZJLGYRQNMNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,11-16)7-3-4-8-19-14-9-13(17)6-5-12(14)10-18-19/h5-6,9-10H,3-4,7-8,17H2,1-2H3.
What are the key properties of 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile?
6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile has a molecular weight of 256.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).