CID 59971096

C6H13N6 — CID 59971096

IUPAC—
SMILES[H]/N=C(\[NH])N1CCN(/C(N)=N/[H])CC1
InChIInChI=1S/C6H13N6/c7-5(8)11-1-2-12(4-3-11)6(9)10/h7-8H,1-4H2,(H3,9,10)/b7-5+
InChIKeyWDVMATOWRICGDF-FNORWQNLSA-N
MW169.21 g/mol
LogP-1.28
Rot. Bonds

About CID 59971096

CID 59971096 (PubChem CID 59971096) has the molecular formula C6H13N6 and a molecular weight of 169.21 g/mol.

Molecular Properties

Compound NameCID 59971096
PubChem CID59971096
Molecular FormulaC6H13N6
Molecular Weight169.21 g/mol
Exact Mass169.12
IUPAC Name—
SMILES[H]/N=C(\[NH])N1CCN(/C(N)=N/[H])CC1
InChIInChI=1S/C6H13N6/c7-5(8)11-1-2-12(4-3-11)6(9)10/h7-8H,1-4H2,(H3,9,10)/b7-5+
InChIKeyWDVMATOWRICGDF-FNORWQNLSA-N
XLogP-1.28
TPSA104.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 59971096?
The IUPAC name of CID 59971096 (CID 59971096) is not available.
What is the SMILES notation for CID 59971096?
The canonical SMILES for CID 59971096 is [H]/N=C(\[NH])N1CCN(/C(N)=N/[H])CC1.
What is the InChIKey of CID 59971096?
The InChIKey is WDVMATOWRICGDF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N6/c7-5(8)11-1-2-12(4-3-11)6(9)10/h7-8H,1-4H2,(H3,9,10)/b7-5+.
What are the key properties of CID 59971096?
CID 59971096 has a molecular weight of 169.21 g/mol, XLogP of -1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59971096 is sourced from PubChem (CID 59971096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).