2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C12H16N6O — CID 107339282

IUPAC2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)Cc2ccc(N)cn2)n1
InChIInChI=1S/C12H16N6O/c1-18-8-16-11(17-18)4-5-14-12(19)6-10-3-2-9(13)7-15-10/h2-3,7-8H,4-6,13H2,1H3,(H,14,19)
InChIKeyDLLXSLPDDLATDL-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.31
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 107339282) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID107339282
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)Cc2ccc(N)cn2)n1
InChIInChI=1S/C12H16N6O/c1-18-8-16-11(17-18)4-5-14-12(19)6-10-3-2-9(13)7-15-10/h2-3,7-8H,4-6,13H2,1H3,(H,14,19)
InChIKeyDLLXSLPDDLATDL-UHFFFAOYSA-N
XLogP-0.31
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107338793
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
2-(5-amino-2-pyridinyl)-N-[3-(diethylamino)propyl]acetamide
CID 107337449
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80683065
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
CID 107339670
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 107339282) is 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnc(CCNC(=O)Cc2ccc(N)cn2)n1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is DLLXSLPDDLATDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-8-16-11(17-18)4-5-14-12(19)6-10-3-2-9(13)7-15-10/h2-3,7-8H,4-6,13H2,1H3,(H,14,19).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 107339282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).