CID 59630137

C5H10N3 — CID 59630137

IUPAC—
SMILES[H]/N=C(\N)N1[CH]CCC1
InChIInChI=1S/C5H10N3/c6-5(7)8-3-1-2-4-8/h3H,1-2,4H2,(H3,6,7)
InChIKeyJKTBHONGHWYUHS-UHFFFAOYSA-N
MW112.16 g/mol
LogP0.14
Rot. Bonds

About CID 59630137

CID 59630137 (PubChem CID 59630137) has the molecular formula C5H10N3 and a molecular weight of 112.16 g/mol.

Molecular Properties

Compound NameCID 59630137
PubChem CID59630137
Molecular FormulaC5H10N3
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name—
SMILES[H]/N=C(\N)N1[CH]CCC1
InChIInChI=1S/C5H10N3/c6-5(7)8-3-1-2-4-8/h3H,1-2,4H2,(H3,6,7)
InChIKeyJKTBHONGHWYUHS-UHFFFAOYSA-N
XLogP0.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59630137?
The IUPAC name of CID 59630137 (CID 59630137) is not available.
What is the SMILES notation for CID 59630137?
The canonical SMILES for CID 59630137 is [H]/N=C(\N)N1[CH]CCC1.
What is the InChIKey of CID 59630137?
The InChIKey is JKTBHONGHWYUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3/c6-5(7)8-3-1-2-4-8/h3H,1-2,4H2,(H3,6,7).
What are the key properties of CID 59630137?
CID 59630137 has a molecular weight of 112.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59630137 is sourced from PubChem (CID 59630137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).