(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

C10H17N5O — CID 82755340

IUPAC(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCCc1nc(C(=O)N2CCNC[C@@H]2C)n[nH]1
InChIInChI=1S/C10H17N5O/c1-3-8-12-9(14-13-8)10(16)15-5-4-11-6-7(15)2/h7,11H,3-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyVASBEMBULUJJBM-ZETCQYMHSA-N
MW223.28 g/mol
LogP-0.20
Rot. Bonds2

About (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82755340) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82755340
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCCc1nc(C(=O)N2CCNC[C@@H]2C)n[nH]1
InChIInChI=1S/C10H17N5O/c1-3-8-12-9(14-13-8)10(16)15-5-4-11-6-7(15)2/h7,11H,3-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyVASBEMBULUJJBM-ZETCQYMHSA-N
XLogP-0.20
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 114086861
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104968244
(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755254
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470559
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 104982379
[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755339
[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 119470551
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82755340) is (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is CCc1nc(C(=O)N2CCNC[C@@H]2C)n[nH]1.
What is the InChIKey of (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is VASBEMBULUJJBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-8-12-9(14-13-8)10(16)15-5-4-11-6-7(15)2/h7,11H,3-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1.
What are the key properties of (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 223.28 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).