N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C11H13N5O — CID 39850688

IUPACN-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCNC(=O)Cc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C11H13N5O/c1-2-12-10(17)7-9-14-11(16-15-9)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3,(H,12,17)(H,14,15,16)
InChIKeyGZCORJOVZYIITM-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.55
Rot. Bonds4

About N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 39850688) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID39850688
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCNC(=O)Cc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C11H13N5O/c1-2-12-10(17)7-9-14-11(16-15-9)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3,(H,12,17)(H,14,15,16)
InChIKeyGZCORJOVZYIITM-UHFFFAOYSA-N
XLogP0.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 39850688) is N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is CCNC(=O)Cc1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is GZCORJOVZYIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-12-10(17)7-9-14-11(16-15-9)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3,(H,12,17)(H,14,15,16).
What are the key properties of N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 39850688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).