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

C8H15N5O — CID 136836448

IUPAC3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CN(c2n[nH]c(=O)[nH]2)CC(C)N1
InChIInChI=1S/C8H15N5O/c1-5-3-13(4-6(2)9-5)7-10-8(14)12-11-7/h5-6,9H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyUAJXQKJBRCFEJV-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.72
Rot. Bonds1

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

3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136836448) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136836448
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CN(c2n[nH]c(=O)[nH]2)CC(C)N1
InChIInChI=1S/C8H15N5O/c1-5-3-13(4-6(2)9-5)7-10-8(14)12-11-7/h5-6,9H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyUAJXQKJBRCFEJV-UHFFFAOYSA-N
XLogP-0.72
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperazin-1-yl)-4H-1,2,4-triazol-3-ol dihydrochloride
CID 167725938
3-(4-Aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol
CID 136573908
3-(piperazin-1-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136758221
3-(1-Piperazin-1-ylethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136125731
5-(3-aminopiperidin-1-yl)-4H-1,2,4-triazol-3-ol
CID 136758285
3-[(3r)-3-Methylpiperazin-1-yl]-1h-1,2,4-triazol-5-ol
CID 136836463
3-[(3S)-3-methylpiperazin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836480
3-(3-Methylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836496
3-(3-Amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836512
3-(3-Amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836526
3-[4-(Methylamino)piperidin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836591
5-({[1-methyl-2-(4-methylpiperazin-1-yl)ethyl]amino}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 137200074

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136836448) is 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is CC1CN(c2n[nH]c(=O)[nH]2)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UAJXQKJBRCFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5-3-13(4-6(2)9-5)7-10-8(14)12-11-7/h5-6,9H,3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136836448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).