2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide

C10H11ClN4O2 — CID 166403893

IUPAC2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
SMILESO=C(CCl)NCCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H11ClN4O2/c11-6-9(16)12-4-3-8-13-10(15-14-8)7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H,12,16)(H,13,14,15)
InChIKeySJXVBTRLEPMQCU-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.96
Rot. Bonds5

About 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide

2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide (PubChem CID 166403893) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
PubChem CID166403893
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
SMILESO=C(CCl)NCCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H11ClN4O2/c11-6-9(16)12-4-3-8-13-10(15-14-8)7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H,12,16)(H,13,14,15)
InChIKeySJXVBTRLEPMQCU-UHFFFAOYSA-N
XLogP0.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
CID 75364800
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
CID 75380704
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 86935684
1-[(4-chlorophenyl)methyl]-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylguanidine
CID 111760725
4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 138042586
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine
CID 111758412
2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
CID 167893550
1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(2-methoxyethyl)guanidine
CID 111758482
1-[3-(benzylsulfinylmethyl)phenyl]-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]urea
CID 86974711
1-(2,2-diphenylethyl)-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111766722
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide (CID 166403893) is 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide is O=C(CCl)NCCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide?
The InChIKey is SJXVBTRLEPMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-6-9(16)12-4-3-8-13-10(15-14-8)7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H,12,16)(H,13,14,15).
What are the key properties of 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide?
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide has a molecular weight of 254.68 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 166403893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).