N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H18N6O — CID 64519222

IUPACN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CN1CCNCC1
InChIInChI=1S/C10H18N6O/c1-15(6-9-12-8-13-14-9)10(17)7-16-4-2-11-3-5-16/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyGYWWEZMMSZFHLV-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.33
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64519222) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64519222
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CN1CCNCC1
InChIInChI=1S/C10H18N6O/c1-15(6-9-12-8-13-14-9)10(17)7-16-4-2-11-3-5-16/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyGYWWEZMMSZFHLV-UHFFFAOYSA-N
XLogP-1.33
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 64518286
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512838
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511251
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 66428762
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60940005
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64519222) is N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is GYWWEZMMSZFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-15(6-9-12-8-13-14-9)10(17)7-16-4-2-11-3-5-16/h8,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64519222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).