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

C7H7N5 — CID 139533970

IUPAC4-(1-methyl-1,2,4-triazol-3-yl)pyridazine
SMILESCn1cnc(-c2ccnnc2)n1
InChIInChI=1S/C7H7N5/c1-12-5-8-7(11-12)6-2-3-9-10-4-6/h2-5H,1H3
InChIKeyRDADNBMMVSAQOG-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.27
Rot. Bonds1

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

4-(1-methyl-1,2,4-triazol-3-yl)pyridazine (PubChem CID 139533970) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine.

Molecular Properties

Compound Name4-(1-methyl-1,2,4-triazol-3-yl)pyridazine
PubChem CID139533970
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name4-(1-methyl-1,2,4-triazol-3-yl)pyridazine
SMILESCn1cnc(-c2ccnnc2)n1
InChIInChI=1S/C7H7N5/c1-12-5-8-7(11-12)6-2-3-9-10-4-6/h2-5H,1H3
InChIKeyRDADNBMMVSAQOG-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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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine?
The IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine (CID 139533970) is 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine.
What is the SMILES notation for 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine?
The canonical SMILES for 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine is Cn1cnc(-c2ccnnc2)n1.
What is the InChIKey of 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine?
The InChIKey is RDADNBMMVSAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-5-8-7(11-12)6-2-3-9-10-4-6/h2-5H,1H3.
What are the key properties of 4-(1-methyl-1,2,4-triazol-3-yl)pyridazine?
4-(1-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-(1-methyl-1,2,4-triazol-3-yl)pyridazine is sourced from PubChem (CID 139533970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).