CID 59694730

C7H8N2 — CID 59694730

IUPAC—
SMILES[CH]c1nc(C)cc(C)n1
InChIInChI=1S/C7H8N2/c1-5-4-6(2)9-7(3)8-5/h3-4H,1-2H3
InChIKeyJYEOQUXHYPZDEK-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.15
Rot. Bonds

About CID 59694730

CID 59694730 (PubChem CID 59694730) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol.

Molecular Properties

Compound NameCID 59694730
PubChem CID59694730
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name—
SMILES[CH]c1nc(C)cc(C)n1
InChIInChI=1S/C7H8N2/c1-5-4-6(2)9-7(3)8-5/h3-4H,1-2H3
InChIKeyJYEOQUXHYPZDEK-UHFFFAOYSA-N
XLogP1.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694730?
The IUPAC name of CID 59694730 (CID 59694730) is not available.
What is the SMILES notation for CID 59694730?
The canonical SMILES for CID 59694730 is [CH]c1nc(C)cc(C)n1.
What is the InChIKey of CID 59694730?
The InChIKey is JYEOQUXHYPZDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-5-4-6(2)9-7(3)8-5/h3-4H,1-2H3.
What are the key properties of CID 59694730?
CID 59694730 has a molecular weight of 120.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694730 is sourced from PubChem (CID 59694730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).