3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine

C7H6ClN5 — CID 104513846

IUPAC3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine
SMILESClc1ccc(Cn2cncn2)nn1
InChIInChI=1S/C7H6ClN5/c8-7-2-1-6(11-12-7)3-13-5-9-4-10-13/h1-2,4-5H,3H2
InChIKeyHFXQVAHHQJHPAM-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.77
Rot. Bonds2

About 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine

3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine (PubChem CID 104513846) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine
PubChem CID104513846
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine
SMILESClc1ccc(Cn2cncn2)nn1
InChIInChI=1S/C7H6ClN5/c8-7-2-1-6(11-12-7)3-13-5-9-4-10-13/h1-2,4-5H,3H2
InChIKeyHFXQVAHHQJHPAM-UHFFFAOYSA-N
XLogP0.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035
3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 89157441
3-chloro-6-(iodomethyl)pyridazine
CID 88576373
4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 80664132
4-(1,2,4-triazol-1-ylmethyl)aniline
CID 821219
3-[(4-benzylpiperazin-1-yl)methyl]-6-chloropyridazine
CID 104513474
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
2,5-bis[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole
CID 102089796
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine?
The IUPAC name of 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine (CID 104513846) is 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine is Clc1ccc(Cn2cncn2)nn1.
What is the InChIKey of 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine?
The InChIKey is HFXQVAHHQJHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c8-7-2-1-6(11-12-7)3-13-5-9-4-10-13/h1-2,4-5H,3H2.
What are the key properties of 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine?
3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine has a molecular weight of 195.61 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine is sourced from PubChem (CID 104513846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).