3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one

C6H11N5O — CID 136758235

IUPAC3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNC1CCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C6H11N5O/c7-4-1-2-11(3-4)5-8-6(12)10-9-5/h4H,1-3,7H2,(H2,8,9,10,12)
InChIKeyUQZPWYMXONXZIH-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.36
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one

3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136758235) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136758235
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNC1CCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C6H11N5O/c7-4-1-2-11(3-4)5-8-6(12)10-9-5/h4H,1-3,7H2,(H2,8,9,10,12)
InChIKeyUQZPWYMXONXZIH-UHFFFAOYSA-N
XLogP-1.36
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136758235) is 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is NC1CCN(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UQZPWYMXONXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-4-1-2-11(3-4)5-8-6(12)10-9-5/h4H,1-3,7H2,(H2,8,9,10,12).
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 169.19 g/mol, XLogP of -1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136758235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).