2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one

C10H17N5O — CID 82509589

IUPAC2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
SMILESCC(Cn1cnnc1)C(=O)N1CCNCC1
InChIInChI=1S/C10H17N5O/c1-9(6-14-7-12-13-8-14)10(16)15-4-2-11-3-5-15/h7-9,11H,2-6H2,1H3
InChIKeyRBFQYXWSJAMPAF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.65
Rot. Bonds3

About 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one

2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one (PubChem CID 82509589) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
PubChem CID82509589
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
SMILESCC(Cn1cnnc1)C(=O)N1CCNCC1
InChIInChI=1S/C10H17N5O/c1-9(6-14-7-12-13-8-14)10(16)15-4-2-11-3-5-15/h7-9,11H,2-6H2,1H3
InChIKeyRBFQYXWSJAMPAF-UHFFFAOYSA-N
XLogP-0.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
3-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)-1,3-oxazolidin-2-one
CID 82511477
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide
CID 82508662
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one (CID 82509589) is 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one is CC(Cn1cnnc1)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one?
The InChIKey is RBFQYXWSJAMPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-9(6-14-7-12-13-8-14)10(16)15-4-2-11-3-5-15/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one?
2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one has a molecular weight of 223.28 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one is sourced from PubChem (CID 82509589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).