(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine

C14H12Cl2N6 — CID 175779414

IUPAC(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2ccc(Cl)nc2)nn1-c1ccc(Cl)cn1
InChIInChI=1S/C14H12Cl2N6/c1-8(17)14-20-13(9-2-4-11(16)18-6-9)21-22(14)12-5-3-10(15)7-19-12/h2-8H,17H2,1H3/t8-/m1/s1
InChIKeyWKQGFWREBKFDDZ-MRVPVSSYSA-N
MW335.20 g/mol
LogP3.05
Rot. Bonds3

About (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine

(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 175779414) has the molecular formula C14H12Cl2N6 and a molecular weight of 335.20 g/mol. Its IUPAC name is (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID175779414
Molecular FormulaC14H12Cl2N6
Molecular Weight335.20 g/mol
Exact Mass334.05
IUPAC Name(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2ccc(Cl)nc2)nn1-c1ccc(Cl)cn1
InChIInChI=1S/C14H12Cl2N6/c1-8(17)14-20-13(9-2-4-11(16)18-6-9)21-22(14)12-5-3-10(15)7-19-12/h2-8H,17H2,1H3/t8-/m1/s1
InChIKeyWKQGFWREBKFDDZ-MRVPVSSYSA-N
XLogP3.05
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine 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

5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
CID 66233909
6-[5-(1-aminoethyl)-3-iodo-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 163283814
6-[5-[(1R)-1-aminoethyl]-3-(difluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 175737083
5-chloro-2-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 66233907
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
CID 167507554
(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431993
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
1-[4-(5-chloro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315765
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
carbonic acid;2,5-dichloropyridine
CID 159285207
1-(5-chloro-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 155586669

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine (CID 175779414) is (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine is C[C@@H](N)c1nc(-c2ccc(Cl)nc2)nn1-c1ccc(Cl)cn1.
What is the InChIKey of (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is WKQGFWREBKFDDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12Cl2N6/c1-8(17)14-20-13(9-2-4-11(16)18-6-9)21-22(14)12-5-3-10(15)7-19-12/h2-8H,17H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine?
(1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 335.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(5-chloro-2-pyridinyl)-5-(6-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 175779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).