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

C7H12N4 — CID 3845762

IUPAC1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESc1ncn(CN2CCCC2)n1
InChIInChI=1S/C7H12N4/c1-2-4-10(3-1)7-11-6-8-5-9-11/h5-6H,1-4,7H2
InChIKeyXZYCEWHXXTUMQY-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds2

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

1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (PubChem CID 3845762) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
PubChem CID3845762
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESc1ncn(CN2CCCC2)n1
InChIInChI=1S/C7H12N4/c1-2-4-10(3-1)7-11-6-8-5-9-11/h5-6H,1-4,7H2
InChIKeyXZYCEWHXXTUMQY-UHFFFAOYSA-N
XLogP0.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (CID 3845762) is 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is c1ncn(CN2CCCC2)n1.
What is the InChIKey of 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The InChIKey is XZYCEWHXXTUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-10(3-1)7-11-6-8-5-9-11/h5-6H,1-4,7H2.
What are the key properties of 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 3845762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).