[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine

C14H11Cl2N5 — CID 68707615

IUPAC[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-10-4-1-5-11(12(10)16)21-8-19-20-14(21)13(17)9-3-2-6-18-7-9/h1-8,13H,17H2
InChIKeyQASPFZSIFGKONP-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.02
Rot. Bonds3

About [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine

[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine (PubChem CID 68707615) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine
PubChem CID68707615
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-10-4-1-5-11(12(10)16)21-8-19-20-14(21)13(17)9-3-2-6-18-7-9/h1-8,13H,17H2
InChIKeyQASPFZSIFGKONP-UHFFFAOYSA-N
XLogP3.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine 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

(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
CID 69004811
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 69009942
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
amino(pyridin-3-yl)methanethiol
CID 116939546
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine (CID 68707615) is [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine is NC(c1cccnc1)c1nncn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine?
The InChIKey is QASPFZSIFGKONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-10-4-1-5-11(12(10)16)21-8-19-20-14(21)13(17)9-3-2-6-18-7-9/h1-8,13H,17H2.
What are the key properties of [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine?
[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine has a molecular weight of 320.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 68707615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).