5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

C8H14N4 — CID 638978

IUPAC5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCc1ncnn1CN1CCCC1
InChIInChI=1S/C8H14N4/c1-8-9-6-10-12(8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyOYPDSCAWKORVKG-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.64
Rot. Bonds2

About 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (PubChem CID 638978) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
PubChem CID638978
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCc1ncnn1CN1CCCC1
InChIInChI=1S/C8H14N4/c1-8-9-6-10-12(8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyOYPDSCAWKORVKG-UHFFFAOYSA-N
XLogP0.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (CID 638978) is 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is Cc1ncnn1CN1CCCC1.
What is the InChIKey of 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The InChIKey is OYPDSCAWKORVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8-9-6-10-12(8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3.
What are the key properties of 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 638978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).