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

C7H12N4 — CID 25248699

IUPAC1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESc1ncn(CC2CCCN2)n1
InChIInChI=1S/C7H12N4/c1-2-7(9-3-1)4-11-6-8-5-10-11/h5-7,9H,1-4H2
InChIKeyAGIXGQFDUZRXCT-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.03
Rot. Bonds2

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

1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (PubChem CID 25248699) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
PubChem CID25248699
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESc1ncn(CC2CCCN2)n1
InChIInChI=1S/C7H12N4/c1-2-7(9-3-1)4-11-6-8-5-10-11/h5-7,9H,1-4H2
InChIKeyAGIXGQFDUZRXCT-UHFFFAOYSA-N
XLogP0.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (CID 25248699) is 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is c1ncn(CC2CCCN2)n1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The InChIKey is AGIXGQFDUZRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-7(9-3-1)4-11-6-8-5-10-11/h5-7,9H,1-4H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 25248699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).