2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

C13H20N6O — CID 122567315

IUPAC2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C13H20N6O/c1-4-5-19-13(14-9-16-19)11(3)17-12(20)8-18-7-10(2)6-15-18/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyKMKIQGMYHHOUBD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds6

About 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 122567315) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID122567315
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C13H20N6O/c1-4-5-19-13(14-9-16-19)11(3)17-12(20)8-18-7-10(2)6-15-18/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyKMKIQGMYHHOUBD-UHFFFAOYSA-N
XLogP1.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125161067
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125440955
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 122567315) is 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1ncnc1C(C)NC(=O)Cn1cc(C)cn1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is KMKIQGMYHHOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-5-19-13(14-9-16-19)11(3)17-12(20)8-18-7-10(2)6-15-18/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 122567315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).