N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide

C9H13N7O — CID 7584287

IUPACN-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2c1nnn2C
InChIInChI=1S/C9H13N7O/c1-6(17)10-3-4-11-8-7-9(13-5-12-8)16(2)15-14-7/h5H,3-4H2,1-2H3,(H,10,17)(H,11,12,13)
InChIKeyZPODXRLWZZAVRC-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.69
Rot. Bonds4

About N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide

N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide (PubChem CID 7584287) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
PubChem CID7584287
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2c1nnn2C
InChIInChI=1S/C9H13N7O/c1-6(17)10-3-4-11-8-7-9(13-5-12-8)16(2)15-14-7/h5H,3-4H2,1-2H3,(H,10,17)(H,11,12,13)
InChIKeyZPODXRLWZZAVRC-UHFFFAOYSA-N
XLogP-0.69
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide (CID 7584287) is N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncnc2c1nnn2C.
What is the InChIKey of N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide?
The InChIKey is ZPODXRLWZZAVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6(17)10-3-4-11-8-7-9(13-5-12-8)16(2)15-14-7/h5H,3-4H2,1-2H3,(H,10,17)(H,11,12,13).
What are the key properties of N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide?
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide has a molecular weight of 235.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide is sourced from PubChem (CID 7584287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).