CID 58669992

C13H14N4-2 — CID 58669992

IUPAC—
SMILES[CH2-]N1Cc2c(c3ncncc3n2[CH2-])C2(CC2)C1
InChIInChI=1S/C13H14N4/c1-16-6-10-11(13(7-16)3-4-13)12-9(17(10)2)5-14-8-15-12/h5,8H,1-4,6-7H2/q-2
InChIKeyMZZWMBHENIXHKG-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.71
Rot. Bonds

About CID 58669992

CID 58669992 (PubChem CID 58669992) has the molecular formula C13H14N4-2 and a molecular weight of 226.28 g/mol.

Molecular Properties

Compound NameCID 58669992
PubChem CID58669992
Molecular FormulaC13H14N4-2
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name—
SMILES[CH2-]N1Cc2c(c3ncncc3n2[CH2-])C2(CC2)C1
InChIInChI=1S/C13H14N4/c1-16-6-10-11(13(7-16)3-4-13)12-9(17(10)2)5-14-8-15-12/h5,8H,1-4,6-7H2/q-2
InChIKeyMZZWMBHENIXHKG-UHFFFAOYSA-N
XLogP1.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58669992?
The IUPAC name of CID 58669992 (CID 58669992) is not available.
What is the SMILES notation for CID 58669992?
The canonical SMILES for CID 58669992 is [CH2-]N1Cc2c(c3ncncc3n2[CH2-])C2(CC2)C1.
What is the InChIKey of CID 58669992?
The InChIKey is MZZWMBHENIXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-16-6-10-11(13(7-16)3-4-13)12-9(17(10)2)5-14-8-15-12/h5,8H,1-4,6-7H2/q-2.
What are the key properties of CID 58669992?
CID 58669992 has a molecular weight of 226.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58669992 is sourced from PubChem (CID 58669992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).