2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine

C11H11N7 — CID 102265098

IUPAC2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
SMILESc1cc(Cn2cncn2)nc(Cn2cncn2)c1
InChIInChI=1S/C11H11N7/c1-2-10(4-17-8-12-6-14-17)16-11(3-1)5-18-9-13-7-15-18/h1-3,6-9H,4-5H2
InChIKeyUSMZVVREKFYNJI-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.36
Rot. Bonds4

About 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine

2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine (PubChem CID 102265098) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
PubChem CID102265098
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
SMILESc1cc(Cn2cncn2)nc(Cn2cncn2)c1
InChIInChI=1S/C11H11N7/c1-2-10(4-17-8-12-6-14-17)16-11(3-1)5-18-9-13-7-15-18/h1-3,6-9H,4-5H2
InChIKeyUSMZVVREKFYNJI-UHFFFAOYSA-N
XLogP0.36
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907359
3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 89157441
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine
CID 104513846
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
4-(1,2,4-triazol-1-ylmethyl)aniline
CID 821219
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035
[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine
CID 62894674
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
dicopper;bis(pyridine-2,6-dicarboxylate);1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole;tetrahydrate
CID 139081457
4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 164652226
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine?
The IUPAC name of 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine (CID 102265098) is 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine?
The canonical SMILES for 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine is c1cc(Cn2cncn2)nc(Cn2cncn2)c1.
What is the InChIKey of 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine?
The InChIKey is USMZVVREKFYNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-2-10(4-17-8-12-6-14-17)16-11(3-1)5-18-9-13-7-15-18/h1-3,6-9H,4-5H2.
What are the key properties of 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine?
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine has a molecular weight of 241.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 102265098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).