2-methyl-4-(pyrazol-1-ylmethyl)triazole

C7H9N5 — CID 130588297

IUPAC2-methyl-4-(pyrazol-1-ylmethyl)triazole
SMILESCn1ncc(Cn2cccn2)n1
InChIInChI=1S/C7H9N5/c1-11-9-5-7(10-11)6-12-4-2-3-8-12/h2-5H,6H2,1H3
InChIKeyFDUXCCJKUKZBPO-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.06
Rot. Bonds2

About 2-methyl-4-(pyrazol-1-ylmethyl)triazole

2-methyl-4-(pyrazol-1-ylmethyl)triazole (PubChem CID 130588297) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-4-(pyrazol-1-ylmethyl)triazole.

Molecular Properties

Compound Name2-methyl-4-(pyrazol-1-ylmethyl)triazole
PubChem CID130588297
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-methyl-4-(pyrazol-1-ylmethyl)triazole
SMILESCn1ncc(Cn2cccn2)n1
InChIInChI=1S/C7H9N5/c1-11-9-5-7(10-11)6-12-4-2-3-8-12/h2-5H,6H2,1H3
InChIKeyFDUXCCJKUKZBPO-UHFFFAOYSA-N
XLogP0.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(triazol-1-ylmethyl)triazole
CID 130977195
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
4-(pyrazol-1-ylmethyl)-2H-triazole
CID 154029465
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
1-[(2-methyltriazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 130591873
5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
CID 121288962
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
2-methyl-4-(methylsulfanylmethyl)triazole
CID 130658803
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyrazol-1-ylmethyl)triazole?
The IUPAC name of 2-methyl-4-(pyrazol-1-ylmethyl)triazole (CID 130588297) is 2-methyl-4-(pyrazol-1-ylmethyl)triazole.
What is the SMILES notation for 2-methyl-4-(pyrazol-1-ylmethyl)triazole?
The canonical SMILES for 2-methyl-4-(pyrazol-1-ylmethyl)triazole is Cn1ncc(Cn2cccn2)n1.
What is the InChIKey of 2-methyl-4-(pyrazol-1-ylmethyl)triazole?
The InChIKey is FDUXCCJKUKZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-11-9-5-7(10-11)6-12-4-2-3-8-12/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-4-(pyrazol-1-ylmethyl)triazole?
2-methyl-4-(pyrazol-1-ylmethyl)triazole has a molecular weight of 163.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyrazol-1-ylmethyl)triazole is sourced from PubChem (CID 130588297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).