N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide

C13H12N6O — CID 68588792

IUPACN-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1nccc2nc(Nc3ccccc3)nn12
InChIInChI=1S/C13H12N6O/c1-9(20)15-13-14-8-7-11-17-12(18-19(11)13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18)(H,14,15,20)
InChIKeyVGZJDMUAEJWBQD-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.83
Rot. Bonds3

About N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide

N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide (PubChem CID 68588792) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide
PubChem CID68588792
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1nccc2nc(Nc3ccccc3)nn12
InChIInChI=1S/C13H12N6O/c1-9(20)15-13-14-8-7-11-17-12(18-19(11)13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18)(H,14,15,20)
InChIKeyVGZJDMUAEJWBQD-UHFFFAOYSA-N
XLogP1.83
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276394
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 110455263
3-[(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methyl]benzamide
CID 59276664
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
CID 90908307
N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide
CID 58712008
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile
CID 68588332

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide (CID 68588792) is N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide is CC(=O)Nc1nccc2nc(Nc3ccccc3)nn12.
What is the InChIKey of N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide?
The InChIKey is VGZJDMUAEJWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9(20)15-13-14-8-7-11-17-12(18-19(11)13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18)(H,14,15,20).
What are the key properties of N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide?
N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 68588792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).