N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C11H12N6O — CID 43833007

IUPACN-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cnccn2)n[nH]1)NC1CC1
InChIInChI=1S/C11H12N6O/c18-10(14-7-1-2-7)5-9-15-11(17-16-9)8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,14,18)(H,15,16,17)
InChIKeyCINYIVXLWDVJKB-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.08
Rot. Bonds4

About N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 43833007) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID43833007
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cnccn2)n[nH]1)NC1CC1
InChIInChI=1S/C11H12N6O/c18-10(14-7-1-2-7)5-9-15-11(17-16-9)8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,14,18)(H,15,16,17)
InChIKeyCINYIVXLWDVJKB-UHFFFAOYSA-N
XLogP0.08
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 43833007) is N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2cnccn2)n[nH]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is CINYIVXLWDVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c18-10(14-7-1-2-7)5-9-15-11(17-16-9)8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,14,18)(H,15,16,17).
What are the key properties of N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 244.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 43833007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).