N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide

C8H10N6O — CID 22974760

IUPACN-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide
SMILESCCCC(=O)Nc1ncnc2n[nH]nc12
InChIInChI=1S/C8H10N6O/c1-2-3-5(15)11-7-6-8(10-4-9-7)13-14-12-6/h4H,2-3H2,1H3,(H2,9,10,11,12,13,14,15)
InChIKeySHEOFTCZSCSSCO-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.49
Rot. Bonds3

About N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide

N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide (PubChem CID 22974760) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide.

Molecular Properties

Compound NameN-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide
PubChem CID22974760
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC NameN-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide
SMILESCCCC(=O)Nc1ncnc2n[nH]nc12
InChIInChI=1S/C8H10N6O/c1-2-3-5(15)11-7-6-8(10-4-9-7)13-14-12-6/h4H,2-3H2,1H3,(H2,9,10,11,12,13,14,15)
InChIKeySHEOFTCZSCSSCO-UHFFFAOYSA-N
XLogP0.49
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide?
The IUPAC name of N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide (CID 22974760) is N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide.
What is the SMILES notation for N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide?
The canonical SMILES for N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide is CCCC(=O)Nc1ncnc2n[nH]nc12.
What is the InChIKey of N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide?
The InChIKey is SHEOFTCZSCSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-2-3-5(15)11-7-6-8(10-4-9-7)13-14-12-6/h4H,2-3H2,1H3,(H2,9,10,11,12,13,14,15).
What are the key properties of N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide?
N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide has a molecular weight of 206.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide is sourced from PubChem (CID 22974760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).