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

C9H16N4O — CID 592634

IUPACN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1cnnc1C(C)NC(C)=O
InChIInChI=1S/C9H16N4O/c1-4-5-13-6-10-12-9(13)7(2)11-8(3)14/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyAULPYIFRKQIEER-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.89
Rot. Bonds4

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

N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 592634) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID592634
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1cnnc1C(C)NC(C)=O
InChIInChI=1S/C9H16N4O/c1-4-5-13-6-10-12-9(13)7(2)11-8(3)14/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyAULPYIFRKQIEER-UHFFFAOYSA-N
XLogP0.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 592634) is N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1cnnc1C(C)NC(C)=O.
What is the InChIKey of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is AULPYIFRKQIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-13-6-10-12-9(13)7(2)11-8(3)14/h6-7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 592634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).