6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine

C8H9ClN6 — CID 64532057

IUPAC6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
SMILESClc1ccc(NCCc2ncn[nH]2)nn1
InChIInChI=1S/C8H9ClN6/c9-6-1-2-7(15-13-6)10-4-3-8-11-5-12-14-8/h1-2,5H,3-4H2,(H,10,15)(H,11,12,14)
InChIKeyUMKWVTKQRJZMHZ-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.90
Rot. Bonds4

About 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine

6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine (PubChem CID 64532057) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
PubChem CID64532057
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
SMILESClc1ccc(NCCc2ncn[nH]2)nn1
InChIInChI=1S/C8H9ClN6/c9-6-1-2-7(15-13-6)10-4-3-8-11-5-12-14-8/h1-2,5H,3-4H2,(H,10,15)(H,11,12,14)
InChIKeyUMKWVTKQRJZMHZ-UHFFFAOYSA-N
XLogP0.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-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

6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
CID 104924795
6-chloro-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195183
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 64523985
4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol
CID 61236927
2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 64829107
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64530665
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine (CID 64532057) is 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine is Clc1ccc(NCCc2ncn[nH]2)nn1.
What is the InChIKey of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine?
The InChIKey is UMKWVTKQRJZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c9-6-1-2-7(15-13-6)10-4-3-8-11-5-12-14-8/h1-2,5H,3-4H2,(H,10,15)(H,11,12,14).
What are the key properties of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine?
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine has a molecular weight of 224.66 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 64532057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).