CID 59630135

C5H9N3 — CID 59630135

IUPAC—
SMILES[CH]CN1CCN=C1N
InChIInChI=1S/C5H9N3/c1-2-8-4-3-7-5(8)6/h1H,2-4H2,(H2,6,7)
InChIKeyGDSXFKTZRYPTRY-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.80
Rot. Bonds1

About CID 59630135

CID 59630135 (PubChem CID 59630135) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol.

Molecular Properties

Compound NameCID 59630135
PubChem CID59630135
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name—
SMILES[CH]CN1CCN=C1N
InChIInChI=1S/C5H9N3/c1-2-8-4-3-7-5(8)6/h1H,2-4H2,(H2,6,7)
InChIKeyGDSXFKTZRYPTRY-UHFFFAOYSA-N
XLogP-0.80
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity108

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59630135?
The IUPAC name of CID 59630135 (CID 59630135) is not available.
What is the SMILES notation for CID 59630135?
The canonical SMILES for CID 59630135 is [CH]CN1CCN=C1N.
What is the InChIKey of CID 59630135?
The InChIKey is GDSXFKTZRYPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-8-4-3-7-5(8)6/h1H,2-4H2,(H2,6,7).
What are the key properties of CID 59630135?
CID 59630135 has a molecular weight of 111.15 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59630135 is sourced from PubChem (CID 59630135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).