4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole

C7H12N4 — CID 62694259

IUPAC4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1cnnc1C1CCCN1
InChIInChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3
InChIKeyXDUNSNMMXUKPIN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.24
Rot. Bonds1

About 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole

4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 62694259) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID62694259
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1cnnc1C1CCCN1
InChIInChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3
InChIKeyXDUNSNMMXUKPIN-UHFFFAOYSA-N
XLogP0.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole (CID 62694259) is 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole is Cn1cnnc1C1CCCN1.
What is the InChIKey of 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is XDUNSNMMXUKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole?
4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole is sourced from PubChem (CID 62694259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).