2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone

C6H10N4O — CID 83618012

IUPAC2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(C(=O)CN)n1
InChIInChI=1S/C6H10N4O/c1-4-2-5(8)10(9-4)6(11)3-7/h2H,3,7-8H2,1H3
InChIKeyBGRVRUZLLDLLFX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds1

About 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone

2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone (PubChem CID 83618012) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
PubChem CID83618012
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(C(=O)CN)n1
InChIInChI=1S/C6H10N4O/c1-4-2-5(8)10(9-4)6(11)3-7/h2H,3,7-8H2,1H3
InChIKeyBGRVRUZLLDLLFX-UHFFFAOYSA-N
XLogP-0.63
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone (CID 83618012) is 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone is Cc1cc(N)n(C(=O)CN)n1.
What is the InChIKey of 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone?
The InChIKey is BGRVRUZLLDLLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-2-5(8)10(9-4)6(11)3-7/h2H,3,7-8H2,1H3.
What are the key properties of 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone?
2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone has a molecular weight of 154.17 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 83618012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).