3-amino-1-(5-aminopyrazol-1-yl)propan-1-one

C6H10N4O — CID 83618131

IUPAC3-amino-1-(5-aminopyrazol-1-yl)propan-1-one
SMILESNCCC(=O)n1nccc1N
InChIInChI=1S/C6H10N4O/c7-3-1-6(11)10-5(8)2-4-9-10/h2,4H,1,3,7-8H2
InChIKeyJTEROGIEBPDMPZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.55
Rot. Bonds2

About 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one

3-amino-1-(5-aminopyrazol-1-yl)propan-1-one (PubChem CID 83618131) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-aminopyrazol-1-yl)propan-1-one
PubChem CID83618131
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-amino-1-(5-aminopyrazol-1-yl)propan-1-one
SMILESNCCC(=O)n1nccc1N
InChIInChI=1S/C6H10N4O/c7-3-1-6(11)10-5(8)2-4-9-10/h2,4H,1,3,7-8H2
InChIKeyJTEROGIEBPDMPZ-UHFFFAOYSA-N
XLogP-0.55
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one (CID 83618131) is 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one is NCCC(=O)n1nccc1N.
What is the InChIKey of 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one?
The InChIKey is JTEROGIEBPDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-3-1-6(11)10-5(8)2-4-9-10/h2,4H,1,3,7-8H2.
What are the key properties of 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one?
3-amino-1-(5-aminopyrazol-1-yl)propan-1-one has a molecular weight of 154.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-aminopyrazol-1-yl)propan-1-one is sourced from PubChem (CID 83618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).