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

C9H14N4O — CID 157038001

IUPACN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cnnc1C1CC1
InChIInChI=1S/C9H14N4O/c1-7(14)10-4-5-13-6-11-12-9(13)8-2-3-8/h6,8H,2-5H2,1H3,(H,10,14)
InChIKeyZCQSFCBAHKJRLH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.29
Rot. Bonds4

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

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide (PubChem CID 157038001) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide
PubChem CID157038001
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cnnc1C1CC1
InChIInChI=1S/C9H14N4O/c1-7(14)10-4-5-13-6-11-12-9(13)8-2-3-8/h6,8H,2-5H2,1H3,(H,10,14)
InChIKeyZCQSFCBAHKJRLH-UHFFFAOYSA-N
XLogP0.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5-methylbenzamide
CID 99636067
1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea
CID 75510940
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 86974365
2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43552920
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133486025
3-(4-ethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552373
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86782213
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide (CID 157038001) is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide is CC(=O)NCCn1cnnc1C1CC1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide?
The InChIKey is ZCQSFCBAHKJRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(14)10-4-5-13-6-11-12-9(13)8-2-3-8/h6,8H,2-5H2,1H3,(H,10,14).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide?
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 157038001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).