4-(4-methyl-1,2,4-triazol-3-yl)pyridazine

C7H7N5 — CID 104673236

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)pyridazine
SMILESCn1cnnc1-c1ccnnc1
InChIInChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-2-3-8-9-4-6/h2-5H,1H3
InChIKeyFIRCEBQPVOYLQC-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.27
Rot. Bonds1

About 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine

4-(4-methyl-1,2,4-triazol-3-yl)pyridazine (PubChem CID 104673236) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)pyridazine
PubChem CID104673236
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)pyridazine
SMILESCn1cnnc1-c1ccnnc1
InChIInChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-2-3-8-9-4-6/h2-5H,1H3
InChIKeyFIRCEBQPVOYLQC-UHFFFAOYSA-N
XLogP0.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]Triazolo[1,5-b]pyridazine
CID 12212523
1,2,4-Triazolo(4,3-b)pyridazine
CID 577392
8-(Difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 68760259
8-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 584076
4-[1-methyl-5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine
CID 162632573
4-ethyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488332
4-methyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165607669
N,N-dimethyl-N'-[4-(4-methyl-1,2,4-triazol-3-yl)pyridazin-3-yl]methanimidamide
CID 21780491
7-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 12428518
4-(4,5-Dimethyl-1,2,4-triazol-3-yl)pyridazine
CID 18726730
4-(Tetrazol-1-ylmethyl)pyridazine
CID 19771038
1-Methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium
CID 21766600

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine (CID 104673236) is 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine is Cn1cnnc1-c1ccnnc1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine?
The InChIKey is FIRCEBQPVOYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-2-3-8-9-4-6/h2-5H,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine?
4-(4-methyl-1,2,4-triazol-3-yl)pyridazine has a molecular weight of 161.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)pyridazine is sourced from PubChem (CID 104673236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).