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

C7H11ClN4O — CID 63330181

IUPAC2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)CCl
InChIInChI=1S/C7H11ClN4O/c1-12-5-10-11-6(12)2-3-9-7(13)4-8/h5H,2-4H2,1H3,(H,9,13)
InChIKeyUJFUDUATUNHGFA-UHFFFAOYSA-N
MW202.64 g/mol
LogP-0.29
Rot. Bonds4

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

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 63330181) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID63330181
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)CCl
InChIInChI=1S/C7H11ClN4O/c1-12-5-10-11-6(12)2-3-9-7(13)4-8/h5H,2-4H2,1H3,(H,9,13)
InChIKeyUJFUDUATUNHGFA-UHFFFAOYSA-N
XLogP-0.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
4-(chloromethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63330313
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55201136
2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63328749
2,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 63330503
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802
1-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 63330192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 63330181) is 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnnc1CCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is UJFUDUATUNHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-12-5-10-11-6(12)2-3-9-7(13)4-8/h5H,2-4H2,1H3,(H,9,13).
What are the key properties of 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 202.64 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 2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 63330181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).