CID 59122909

C5H9N5 — CID 59122909

IUPAC—
SMILES[CH]CNCCc1nn[nH]n1
InChIInChI=1S/C5H9N5/c1-2-6-4-3-5-7-9-10-8-5/h1,6H,2-4H2,(H,7,8,9,10)
InChIKeyUZTXDEFSFCWFCX-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.96
Rot. Bonds4

About CID 59122909

CID 59122909 (PubChem CID 59122909) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol.

Molecular Properties

Compound NameCID 59122909
PubChem CID59122909
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name—
SMILES[CH]CNCCc1nn[nH]n1
InChIInChI=1S/C5H9N5/c1-2-6-4-3-5-7-9-10-8-5/h1,6H,2-4H2,(H,7,8,9,10)
InChIKeyUZTXDEFSFCWFCX-UHFFFAOYSA-N
XLogP-0.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59122909?
The IUPAC name of CID 59122909 (CID 59122909) is not available.
What is the SMILES notation for CID 59122909?
The canonical SMILES for CID 59122909 is [CH]CNCCc1nn[nH]n1.
What is the InChIKey of CID 59122909?
The InChIKey is UZTXDEFSFCWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-6-4-3-5-7-9-10-8-5/h1,6H,2-4H2,(H,7,8,9,10).
What are the key properties of CID 59122909?
CID 59122909 has a molecular weight of 139.16 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59122909 is sourced from PubChem (CID 59122909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).