2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide

C7H9N7OS — CID 1491867

IUPAC2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C7H9N7OS/c8-4-1-5-10-3-11-14(5)7(12-4)16-2-6(15)13-9/h1,3H,2,8-9H2,(H,13,15)
InChIKeyOFJYXXAVWUDFBB-UHFFFAOYSA-N
MW239.26 g/mol
LogP-1.21
Rot. Bonds3

About 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide

2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide (PubChem CID 1491867) has the molecular formula C7H9N7OS and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide
PubChem CID1491867
Molecular FormulaC7H9N7OS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C7H9N7OS/c8-4-1-5-10-3-11-14(5)7(12-4)16-2-6(15)13-9/h1,3H,2,8-9H2,(H,13,15)
InChIKeyOFJYXXAVWUDFBB-UHFFFAOYSA-N
XLogP-1.21
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide?
The IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide (CID 1491867) is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide?
The canonical SMILES for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide is NNC(=O)CSc1nc(N)cc2ncnn12.
What is the InChIKey of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide?
The InChIKey is OFJYXXAVWUDFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7OS/c8-4-1-5-10-3-11-14(5)7(12-4)16-2-6(15)13-9/h1,3H,2,8-9H2,(H,13,15).
What are the key properties of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide?
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide has a molecular weight of 239.26 g/mol, XLogP of -1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 1491867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).