N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide

C12H18N6O — CID 125437788

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
SMILESCC[C@H](NC(=O)Cn1cccn1)c1ncnn1CC
InChIInChI=1S/C12H18N6O/c1-3-10(12-13-9-15-18(12)4-2)16-11(19)8-17-7-5-6-14-17/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyVMZAKHQDAPMLTK-JTQLQIEISA-N
MW262.32 g/mol
LogP0.76
Rot. Bonds6

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide (PubChem CID 125437788) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
PubChem CID125437788
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
SMILESCC[C@H](NC(=O)Cn1cccn1)c1ncnn1CC
InChIInChI=1S/C12H18N6O/c1-3-10(12-13-9-15-18(12)4-2)16-11(19)8-17-7-5-6-14-17/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyVMZAKHQDAPMLTK-JTQLQIEISA-N
XLogP0.76
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
1-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-3-pyrrol-1-ylphenyl)urea
CID 97279425
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
CID 125448522
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125160819

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide (CID 125437788) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide is CC[C@H](NC(=O)Cn1cccn1)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide?
The InChIKey is VMZAKHQDAPMLTK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-10(12-13-9-15-18(12)4-2)16-11(19)8-17-7-5-6-14-17/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide has a molecular weight of 262.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 125437788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).