piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone

C7H11N5O — CID 44721322

IUPACpiperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCNCC1
InChIInChI=1S/C7H11N5O/c13-7(6-9-5-10-11-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11)
InChIKeyWOTHUTXVSORKHY-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.15
Rot. Bonds1

About piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone

piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 44721322) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone
PubChem CID44721322
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Namepiperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCNCC1
InChIInChI=1S/C7H11N5O/c13-7(6-9-5-10-11-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11)
InChIKeyWOTHUTXVSORKHY-UHFFFAOYSA-N
XLogP-1.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
1H-1,2,4-triazol-3-yl-N-(2-morpholin-4-ylethyl)carboxamide
CID 567711
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
N-(2,2,3,3,3-pentafluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 175726607
4-(1H-[1,2,4]Triazole-3-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 544939
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489
N-(1-(4-aminobutanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 118946460

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone (CID 44721322) is piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is WOTHUTXVSORKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c13-7(6-9-5-10-11-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11).
What are the key properties of piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone?
piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 44721322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).