2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone

C11H20N6O — CID 61015580

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H20N6O/c1-2-3-15-4-6-16(7-5-15)10(18)8-17-9-13-11(12)14-17/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyBLLJGUGTTSSVHP-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.59
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 61015580) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID61015580
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H20N6O/c1-2-3-15-4-6-16(7-5-15)10(18)8-17-9-13-11(12)14-17/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyBLLJGUGTTSSVHP-UHFFFAOYSA-N
XLogP-0.59
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone (CID 61015580) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is BLLJGUGTTSSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-2-3-15-4-6-16(7-5-15)10(18)8-17-9-13-11(12)14-17/h9H,2-8H2,1H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61015580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).