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

C11H11Cl3N4 — CID 102750617

IUPAC3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-7(6-18-4-2-3-15-18)16-11-9(13)5-8(12)10(14)17-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVXHWFMFJSNEVNZ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.74
Rot. Bonds4

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

3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 102750617) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID102750617
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-7(6-18-4-2-3-15-18)16-11-9(13)5-8(12)10(14)17-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVXHWFMFJSNEVNZ-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'}

Analyze 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 80732783
6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80809032
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
2-chloro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 62945904
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
CID 54937576
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934571
5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076363

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (CID 102750617) is 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1cccn1)Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is VXHWFMFJSNEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N4/c1-7(6-18-4-2-3-15-18)16-11-9(13)5-8(12)10(14)17-11/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
3,5,6-trichloro-N-(1-pyrazol-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-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 102750617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).