3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

C11H11Cl3N4 — CID 102750662

IUPAC3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-7(5-18-3-2-15-6-18)16-11-9(13)4-8(12)10(14)17-11/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyAUJDTFWEIQQRJG-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.74
Rot. Bonds4

About 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 102750662) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID102750662
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-7(5-18-3-2-15-6-18)16-11-9(13)4-8(12)10(14)17-11/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyAUJDTFWEIQQRJG-UHFFFAOYSA-N
XLogP3.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
CID 107195013

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (CID 102750662) is 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1ccnc1)Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is AUJDTFWEIQQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N4/c1-7(5-18-3-2-15-6-18)16-11-9(13)4-8(12)10(14)17-11/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 102750662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).