3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine

C11H11N7O — CID 167967516

IUPAC3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine
SMILESCOc1ccc(Cn2cc(-c3ccn[nH]3)nn2)nn1
InChIInChI=1S/C11H11N7O/c1-19-11-3-2-8(13-16-11)6-18-7-10(15-17-18)9-4-5-12-14-9/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyWHAKBZFDLVCINO-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.52
Rot. Bonds4

About 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine

3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine (PubChem CID 167967516) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine
PubChem CID167967516
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine
SMILESCOc1ccc(Cn2cc(-c3ccn[nH]3)nn2)nn1
InChIInChI=1S/C11H11N7O/c1-19-11-3-2-8(13-16-11)6-18-7-10(15-17-18)9-4-5-12-14-9/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyWHAKBZFDLVCINO-UHFFFAOYSA-N
XLogP0.52
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-1H-pyrazolo[4,3-b]pyridine
CID 52987829
5-methoxy-1H-pyrazolo[3,4-c]pyridine
CID 12668488
6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine
CID 99789848
5-methyl-4-(1H-pyrazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 177866386
5-(difluoromethoxy)-1-methyl-3-(1H-pyrazol-5-yl)pyrazole
CID 160709723
N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677222
N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 60973025
2-Methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine
CID 146140972
[4-[1-[[6-(Difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine
CID 167775598
1-(2-methoxypyridin-4-yl)-1H-pyrazol-4-amine
CID 66521608
1-[2-(5-Methoxypyrrolo[2,3-c]pyridin-1-yl)ethyl]pyrazol-4-amine
CID 68283367
6-Methoxy-5-(2h-1,2,3-triazol-2-yl)-3-pyridinamine
CID 68619816

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine?
The IUPAC name of 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine (CID 167967516) is 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine is COc1ccc(Cn2cc(-c3ccn[nH]3)nn2)nn1.
What is the InChIKey of 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine?
The InChIKey is WHAKBZFDLVCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-19-11-3-2-8(13-16-11)6-18-7-10(15-17-18)9-4-5-12-14-9/h2-5,7H,6H2,1H3,(H,12,14).
What are the key properties of 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine?
3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine has a molecular weight of 257.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[[4-(1H-pyrazol-5-yl)triazol-1-yl]methyl]pyridazine is sourced from PubChem (CID 167967516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).