N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide

C9H13N7O — CID 60969480

IUPACN-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide
SMILESCC(C)NC(=O)CNc1cncc2nnnn12
InChIInChI=1S/C9H13N7O/c1-6(2)12-9(17)5-11-7-3-10-4-8-13-14-15-16(7)8/h3-4,6,11H,5H2,1-2H3,(H,12,17)
InChIKeyNFDOEIRTGWNPHE-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.54
Rot. Bonds4

About N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide

N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide (PubChem CID 60969480) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide
PubChem CID60969480
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide
SMILESCC(C)NC(=O)CNc1cncc2nnnn12
InChIInChI=1S/C9H13N7O/c1-6(2)12-9(17)5-11-7-3-10-4-8-13-14-15-16(7)8/h3-4,6,11H,5H2,1-2H3,(H,12,17)
InChIKeyNFDOEIRTGWNPHE-UHFFFAOYSA-N
XLogP-0.54
TPSA97.10 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 ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide (CID 60969480) is N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide is CC(C)NC(=O)CNc1cncc2nnnn12.
What is the InChIKey of N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide?
The InChIKey is NFDOEIRTGWNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6(2)12-9(17)5-11-7-3-10-4-8-13-14-15-16(7)8/h3-4,6,11H,5H2,1-2H3,(H,12,17).
What are the key properties of N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide?
N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide has a molecular weight of 235.25 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)acetamide is sourced from PubChem (CID 60969480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).